 Entering Gaussian System, Link 0=g16
 Input=27_methylindane_Boat_STD_wB97XD-def2SVPDr.in
 Output=27_methylindane_Boat_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/27_methylindane_Boat_STD/Gau-83711.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/27_methylindane_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     83716.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                24-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=120GB
 %chk=27_methylindane_Boat_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sat Jul 24 17:52:24 2021, MaxMem= 16106127360 cpu:               3.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "27_methylindane_Boat_STD_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.164986000000     -1.224920000000     -0.005005000000
  C                                                -2.642020000000      0.073409000000      0.146690000000
  C                                                -1.762079000000      1.153232000000      0.130794000000
  C                                                -0.405452000000      0.917524000000     -0.034454000000
  C                                                 0.074285000000     -0.384887000000     -0.186400000000
  C                                                -0.802207000000     -1.459935000000     -0.173869000000
  C                                                 1.577720000000     -0.384146000000     -0.367381000000
  C                                                 1.970002000000      1.020984000000      0.144037000000
  C                                                 0.731931000000      1.906712000000     -0.098518000000
  H                                                -2.856720000000     -2.057467000000      0.013689000000
  H                                                -3.702276000000      0.244250000000      0.283207000000
  H                                                -2.135971000000      2.162786000000      0.253773000000
  H                                                -0.437393000000     -2.473544000000     -0.286670000000
  H                                                 1.789870000000     -0.436688000000     -1.443748000000
  C                                                 2.317593000000     -1.524644000000      0.320775000000
  H                                                 2.873170000000      1.403772000000     -0.331853000000
  H                                                 2.163642000000      0.958387000000      1.218672000000
  H                                                 0.772481000000      2.369953000000     -1.090624000000
  H                                                 0.637692000000      2.716269000000      0.626868000000
  H                                                 2.108272000000     -1.526468000000      1.392826000000
  H                                                 3.396620000000     -1.425796000000      0.184958000000
  H                                                 2.021897000000     -2.495429000000     -0.081110000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1
 NAtoms=     22 NQM=       22 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1          12           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           0           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22
 IAtWgt=           1           1
 AtmWgt=   1.0078250   1.0078250
 NucSpn=           1           1
 AtZEff=   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Sat Jul 24 17:52:25 2021, MaxMem= 16106127360 cpu:               3.9 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.164986   -1.224920   -0.005005
      2          6           0       -2.642020    0.073409    0.146690
      3          6           0       -1.762079    1.153232    0.130794
      4          6           0       -0.405452    0.917524   -0.034454
      5          6           0        0.074285   -0.384887   -0.186400
      6          6           0       -0.802207   -1.459935   -0.173869
      7          6           0        1.577720   -0.384146   -0.367381
      8          6           0        1.970002    1.020984    0.144037
      9          6           0        0.731931    1.906712   -0.098518
     10          1           0       -2.856720   -2.057467    0.013689
     11          1           0       -3.702276    0.244250    0.283207
     12          1           0       -2.135971    2.162786    0.253773
     13          1           0       -0.437393   -2.473544   -0.286670
     14          1           0        1.789870   -0.436688   -1.443748
     15          6           0        2.317593   -1.524644    0.320775
     16          1           0        2.873170    1.403772   -0.331853
     17          1           0        2.163642    0.958387    1.218672
     18          1           0        0.772481    2.369953   -1.090624
     19          1           0        0.637692    2.716269    0.626868
     20          1           0        2.108272   -1.526468    1.392826
     21          1           0        3.396620   -1.425796    0.184958
     22          1           0        2.021897   -2.495429   -0.081110
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.391485   0.000000
     3  C    2.415861   1.393042   0.000000
     4  C    2.772525   2.397411   1.386832   0.000000
     5  C    2.398519   2.774761   2.416331   1.396248   0.000000
     6  C    1.393167   2.416364   2.800503   2.414366   1.387128
     7  C    3.853059   4.275492   3.710252   2.395445   1.514289
     8  C    4.707911   4.708360   3.734447   2.384396   2.383150
     9  C    4.267082   3.847684   2.615416   1.508720   2.385717
    10  H    1.082580   2.145791   3.394192   3.855075   3.380584
    11  H    2.145877   1.082574   2.147986   3.379831   3.857299
    12  H    3.397699   2.152452   1.083567   2.151383   3.401415
    13  H    2.150110   3.396344   3.883629   3.400585   2.152756
    14  H    4.281609   4.736174   4.198020   2.939292   2.127637
    15  C    4.504385   5.213621   4.883732   3.674962   2.566847
    16  H    5.692088   5.693522   4.665013   3.327799   3.324788
    17  H    5.000124   5.002671   4.078324   2.858713   2.853774
    18  H    4.767640   4.296961   3.065333   2.147690   2.982322
    19  H    4.877216   4.239315   2.906557   2.181967   3.255150
    20  H    4.506173   5.165049   4.873719   3.785371   2.816783
    21  H    5.568474   6.222078   5.767711   4.471582   3.501329
    22  H    4.376068   5.329441   5.260808   4.188371   2.873789
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.618935   0.000000
     8  C    3.733787   1.545906   0.000000
     9  C    3.700482   2.456761   1.541482   0.000000
    10  H    2.147847   4.754942   5.726351   5.348432   0.000000
    11  H    3.394638   5.356912   5.726903   4.750967   2.466882
    12  H    3.884059   4.545789   4.263188   2.900783   4.288083
    13  H    1.083151   2.903925   4.265300   4.537550   2.473152
    14  H    3.062432   1.098332   2.162942   2.901793   5.132431
    15  C    3.159432   1.523715   2.575321   3.803201   5.210731
    16  H    4.661992   2.208190   1.090280   2.211854   6.703075
    17  H    4.072310   2.158996   1.093735   2.164280   5.979247
    18  H    4.241241   2.959147   2.185901   1.095678   5.830322
    19  H    4.489451   3.388917   2.209563   1.091077   5.947727
    20  H    3.306032   2.164420   2.840441   3.988126   5.180263
    21  H    4.214270   2.167605   2.832604   4.276276   6.287496
    22  H    3.009388   2.176410   3.523996   4.587282   4.899153
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.476885   0.000000
    13  H    4.286097   4.967172   0.000000
    14  H    5.797389   5.005104   3.232385   0.000000
    15  C    6.274490   5.782375   2.976466   2.139084   0.000000
    16  H    6.705168   5.100054   5.098573   2.407726   3.051264
    17  H    5.982815   4.568181   4.561753   3.028931   2.644875
    18  H    5.140961   3.210828   5.056639   3.006162   4.421233
    19  H    5.006426   2.852849   5.378152   3.944123   4.571772
    20  H    6.174882   5.737738   3.193442   3.055348   1.092297
    21  H    7.293355   6.594863   4.002482   2.492522   1.092024
    22  H    6.356471   6.252918   2.467963   2.479724   1.091500
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.762364   0.000000
    18  H    2.433543   3.043139   0.000000
    19  H    2.763902   2.401854   1.757237   0.000000
    20  H    3.485096   2.491566   4.809777   4.555229   0.000000
    21  H    2.923619   2.876305   4.787580   4.996366   1.768875
    22  H    3.998913   3.693016   5.123680   5.438663   1.766022
                   21         22
    21  H    0.000000
    22  H    1.762036   0.000000
 Stoichiometry    C10H12
 Framework group  C1[X(C10H12)]
 Deg. of freedom    60
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.53D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.164986   -1.224920   -0.005005
      2          6           0       -2.642020    0.073409    0.146690
      3          6           0       -1.762079    1.153232    0.130794
      4          6           0       -0.405452    0.917524   -0.034454
      5          6           0        0.074285   -0.384887   -0.186400
      6          6           0       -0.802207   -1.459935   -0.173869
      7          6           0        1.577720   -0.384146   -0.367381
      8          6           0        1.970002    1.020984    0.144037
      9          6           0        0.731931    1.906712   -0.098518
     10          1           0       -2.856720   -2.057467    0.013689
     11          1           0       -3.702276    0.244250    0.283207
     12          1           0       -2.135971    2.162786    0.253773
     13          1           0       -0.437393   -2.473544   -0.286670
     14          1           0        1.789870   -0.436688   -1.443748
     15          6           0        2.317593   -1.524644    0.320775
     16          1           0        2.873170    1.403772   -0.331853
     17          1           0        2.163642    0.958387    1.218672
     18          1           0        0.772481    2.369953   -1.090624
     19          1           0        0.637692    2.716269    0.626868
     20          1           0        2.108272   -1.526468    1.392826
     21          1           0        3.396620   -1.425796    0.184958
     22          1           0        2.021897   -2.495429   -0.081110
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.3914598           1.2314279           0.8455004
 Leave Link  202 at Sat Jul 24 17:52:25 2021, MaxMem= 16106127360 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     16     17     18     19     20
 Centers:      21     22
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     15
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   316 symmetry adapted cartesian basis functions of A   symmetry.
 There are   296 symmetry adapted basis functions of A   symmetry.
   296 basis functions,   440 primitive gaussians,   316 cartesian basis functions
    36 alpha electrons       36 beta electrons
       nuclear repulsion energy       504.1844683919 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   22 NActive=   22 NUniq=   22 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0140568314 Hartrees.
 Nuclear repulsion after empirical dispersion term =      504.1704115605 Hartrees.
 Leave Link  301 at Sat Jul 24 17:52:26 2021, MaxMem= 16106127360 cpu:               9.9 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   296 RedAO= T EigKep=  4.82D-06  NBF=   296
 NBsUse=   296 1.00D-06 EigRej= -1.00D+00 NBFU=   296
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   316   316   316   316   316 MxSgAt=    22 MxSgA2=    22.
 Leave Link  302 at Sat Jul 24 17:52:27 2021, MaxMem= 16106127360 cpu:               5.3 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sat Jul 24 17:52:27 2021, MaxMem= 16106127360 cpu:               2.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "27_methylindane_Boat_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sat Jul 24 17:52:27 2021, MaxMem= 16106127360 cpu:               6.1 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 16106127360 LenX= 16105919418 LenY= 16105819121
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -387.913221878105    
 DIIS: error= 4.11D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -387.913221878105     IErMin= 1 ErrMin= 4.11D-03
 ErrMax= 4.11D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.21D-03 BMatP= 8.21D-03
 IDIUse=3 WtCom= 9.59D-01 WtEn= 4.11D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.368 Goal=   None    Shift=    0.000
 GapD=    0.368 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.70D-03 MaxDP=3.27D-01              OVMax= 1.31D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.96D-03    CP:  1.19D+00
 E= -387.920222997611     Delta-E=       -0.007001119506 Rises=F Damp=F
 DIIS: error= 4.24D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -387.920222997611     IErMin= 2 ErrMin= 4.24D-04
 ErrMax= 4.24D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-04 BMatP= 8.21D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.24D-03
 Coeff-Com: -0.565D-01 0.106D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.562D-01 0.106D+01
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=1.71D-03 MaxDP=5.68D-02 DE=-7.00D-03 OVMax= 4.90D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.97D-04    CP:  1.23D+00  1.12D+00
 E= -387.920459716632     Delta-E=       -0.000236719021 Rises=F Damp=F
 DIIS: error= 2.03D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -387.920459716632     IErMin= 3 ErrMin= 2.03D-04
 ErrMax= 2.03D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.87D-05 BMatP= 1.34D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.03D-03
 Coeff-Com: -0.363D-01 0.346D+00 0.691D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.363D-01 0.345D+00 0.691D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=9.86D-05 MaxDP=3.09D-03 DE=-2.37D-04 OVMax= 9.29D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.27D-05    CP:  1.23D+00  1.13D+00  1.01D+00
 E= -387.920499440610     Delta-E=       -0.000039723978 Rises=F Damp=F
 DIIS: error= 5.44D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -387.920499440610     IErMin= 4 ErrMin= 5.44D-05
 ErrMax= 5.44D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.79D-06 BMatP= 3.87D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.255D-02-0.256D-01 0.116D+00 0.913D+00
 Coeff:     -0.255D-02-0.256D-01 0.116D+00 0.913D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=5.07D-05 MaxDP=1.67D-03 DE=-3.97D-05 OVMax= 5.84D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.23D-05    CP:  1.23D+00  1.13D+00  1.04D+00  9.43D-01
 E= -387.920501703791     Delta-E=       -0.000002263181 Rises=F Damp=F
 DIIS: error= 2.55D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -387.920501703791     IErMin= 5 ErrMin= 2.55D-05
 ErrMax= 2.55D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.25D-07 BMatP= 1.79D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.769D-03-0.276D-01 0.429D-02 0.368D+00 0.655D+00
 Coeff:      0.769D-03-0.276D-01 0.429D-02 0.368D+00 0.655D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=1.14D-05 MaxDP=3.38D-04 DE=-2.26D-06 OVMax= 3.18D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.66D-06    CP:  1.23D+00  1.13D+00  1.05D+00  9.92D-01  8.90D-01
 E= -387.920502129851     Delta-E=       -0.000000426061 Rises=F Damp=F
 DIIS: error= 7.98D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -387.920502129851     IErMin= 6 ErrMin= 7.98D-06
 ErrMax= 7.98D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.16D-08 BMatP= 4.25D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.654D-03-0.981D-02-0.119D-01 0.646D-01 0.294D+00 0.663D+00
 Coeff:      0.654D-03-0.981D-02-0.119D-01 0.646D-01 0.294D+00 0.663D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=4.49D-06 MaxDP=1.49D-04 DE=-4.26D-07 OVMax= 8.52D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.07D-06    CP:  1.23D+00  1.13D+00  1.05D+00  9.92D-01  9.29D-01
                    CP:  8.86D-01
 E= -387.920502186962     Delta-E=       -0.000000057111 Rises=F Damp=F
 DIIS: error= 1.63D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -387.920502186962     IErMin= 7 ErrMin= 1.63D-06
 ErrMax= 1.63D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-09 BMatP= 5.16D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.273D-04 0.566D-03-0.185D-02-0.143D-01-0.176D-02 0.659D-01
 Coeff-Com:  0.951D+00
 Coeff:      0.273D-04 0.566D-03-0.185D-02-0.143D-01-0.176D-02 0.659D-01
 Coeff:      0.951D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=1.73D-06 MaxDP=6.44D-05 DE=-5.71D-08 OVMax= 3.91D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.64D-07    CP:  1.23D+00  1.13D+00  1.05D+00  9.91D-01  9.43D-01
                    CP:  9.52D-01  1.09D+00
 E= -387.920502189616     Delta-E=       -0.000000002654 Rises=F Damp=F
 DIIS: error= 6.78D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -387.920502189616     IErMin= 8 ErrMin= 6.78D-07
 ErrMax= 6.78D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.15D-10 BMatP= 1.01D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.732D-04 0.149D-02 0.757D-03-0.140D-01-0.373D-01-0.655D-01
 Coeff-Com:  0.362D+00 0.753D+00
 Coeff:     -0.732D-04 0.149D-02 0.757D-03-0.140D-01-0.373D-01-0.655D-01
 Coeff:      0.362D+00 0.753D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=5.08D-07 MaxDP=1.71D-05 DE=-2.65D-09 OVMax= 1.31D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.92D-07    CP:  1.23D+00  1.13D+00  1.05D+00  9.91D-01  9.46D-01
                    CP:  9.59D-01  1.17D+00  1.10D+00
 E= -387.920502190265     Delta-E=       -0.000000000649 Rises=F Damp=F
 DIIS: error= 2.91D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -387.920502190265     IErMin= 9 ErrMin= 2.91D-07
 ErrMax= 2.91D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.05D-11 BMatP= 3.15D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.969D-05 0.767D-04 0.206D-03 0.706D-04-0.171D-02-0.128D-01
 Coeff-Com: -0.661D-01 0.608D-01 0.102D+01
 Coeff:     -0.969D-05 0.767D-04 0.206D-03 0.706D-04-0.171D-02-0.128D-01
 Coeff:     -0.661D-01 0.608D-01 0.102D+01
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=1.50D-07 MaxDP=3.51D-06 DE=-6.49D-10 OVMax= 7.95D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.06D-08    CP:  1.23D+00  1.13D+00  1.05D+00  9.91D-01  9.47D-01
                    CP:  9.60D-01  1.19D+00  1.20D+00  1.16D+00
 E= -387.920502190359     Delta-E=       -0.000000000093 Rises=F Damp=F
 DIIS: error= 1.18D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -387.920502190359     IErMin=10 ErrMin= 1.18D-07
 ErrMax= 1.18D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.81D-12 BMatP= 2.05D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.936D-05-0.232D-03-0.651D-04 0.240D-02 0.616D-02 0.742D-02
 Coeff-Com: -0.830D-01-0.112D+00 0.297D+00 0.882D+00
 Coeff:      0.936D-05-0.232D-03-0.651D-04 0.240D-02 0.616D-02 0.742D-02
 Coeff:     -0.830D-01-0.112D+00 0.297D+00 0.882D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=7.38D-08 MaxDP=2.00D-06 DE=-9.35D-11 OVMax= 3.37D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.09D-08    CP:  1.23D+00  1.13D+00  1.05D+00  9.91D-01  9.47D-01
                    CP:  9.60D-01  1.19D+00  1.24D+00  1.27D+00  1.14D+00
 E= -387.920502190369     Delta-E=       -0.000000000010 Rises=F Damp=F
 DIIS: error= 4.40D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -387.920502190369     IErMin=11 ErrMin= 4.40D-08
 ErrMax= 4.40D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.23D-13 BMatP= 4.81D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.362D-05-0.616D-04-0.395D-04 0.494D-03 0.155D-02 0.367D-02
 Coeff-Com: -0.606D-02-0.310D-01-0.104D+00 0.169D+00 0.966D+00
 Coeff:      0.362D-05-0.616D-04-0.395D-04 0.494D-03 0.155D-02 0.367D-02
 Coeff:     -0.606D-02-0.310D-01-0.104D+00 0.169D+00 0.966D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=2.64D-08 MaxDP=5.08D-07 DE=-1.03D-11 OVMax= 1.40D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.69D-08    CP:  1.23D+00  1.13D+00  1.05D+00  9.91D-01  9.47D-01
                    CP:  9.60D-01  1.19D+00  1.24D+00  1.28D+00  1.29D+00
                    CP:  1.26D+00
 E= -387.920502190373     Delta-E=       -0.000000000004 Rises=F Damp=F
 DIIS: error= 2.06D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -387.920502190373     IErMin=12 ErrMin= 2.06D-08
 ErrMax= 2.06D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-13 BMatP= 6.23D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.185D-06 0.150D-04-0.201D-05-0.208D-03-0.470D-03 0.559D-04
 Coeff-Com:  0.110D-01 0.798D-02-0.808D-01-0.822D-01 0.298D+00 0.847D+00
 Coeff:     -0.185D-06 0.150D-04-0.201D-05-0.208D-03-0.470D-03 0.559D-04
 Coeff:      0.110D-01 0.798D-02-0.808D-01-0.822D-01 0.298D+00 0.847D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=1.11D-08 MaxDP=3.24D-07 DE=-4.32D-12 OVMax= 4.52D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  6.81D-09    CP:  1.23D+00  1.13D+00  1.05D+00  9.91D-01  9.47D-01
                    CP:  9.60D-01  1.19D+00  1.24D+00  1.27D+00  1.32D+00
                    CP:  1.36D+00  1.15D+00
 E= -387.920502190379     Delta-E=       -0.000000000005 Rises=F Damp=F
 DIIS: error= 4.82D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -387.920502190379     IErMin=13 ErrMin= 4.82D-09
 ErrMax= 4.82D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.79D-14 BMatP= 1.05D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.470D-06 0.125D-04 0.341D-05-0.133D-03-0.354D-03-0.410D-03
 Coeff-Com:  0.463D-02 0.672D-02-0.172D-01-0.480D-01-0.793D-02 0.333D+00
 Coeff-Com:  0.730D+00
 Coeff:     -0.470D-06 0.125D-04 0.341D-05-0.133D-03-0.354D-03-0.410D-03
 Coeff:      0.463D-02 0.672D-02-0.172D-01-0.480D-01-0.793D-02 0.333D+00
 Coeff:      0.730D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=3.32D-09 MaxDP=8.86D-08 DE=-5.12D-12 OVMax= 1.10D-07

 SCF Done:  E(RwB97XD) =  -387.920502190     A.U. after   13 cycles
            NFock= 13  Conv=0.33D-08     -V/T= 2.0123
 KE= 3.832063318097D+02 PE=-1.904406112584D+03 EE= 6.291088670232D+02
 Leave Link  502 at Sat Jul 24 17:53:18 2021, MaxMem= 16106127360 cpu:             794.1 elap:              49.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   296
 NBasis=   296 NAE=    36 NBE=    36 NFC=     0 NFV=     0
 NROrb=    296 NOA=    36 NOB=    36 NVA=   260 NVB=   260

 **** Warning!!: The largest alpha MO coefficient is  0.87412722D+02

 Leave Link  801 at Sat Jul 24 17:53:18 2021, MaxMem= 16106127360 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6641 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   16106127360 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          22
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.56D-13 8.33D-09 XBig12= 1.00D+00 4.30D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.56D-13 8.33D-09 XBig12= 1.91D-01 7.75D-02.
     11 vectors produced by pass  2 Test12= 1.56D-13 8.33D-09 XBig12= 3.62D-02 7.37D-02.
     11 vectors produced by pass  3 Test12= 1.56D-13 8.33D-09 XBig12= 2.75D-03 1.90D-02.
     11 vectors produced by pass  4 Test12= 1.56D-13 8.33D-09 XBig12= 3.06D-04 4.09D-03.
     11 vectors produced by pass  5 Test12= 1.56D-13 8.33D-09 XBig12= 1.51D-05 8.26D-04.
     11 vectors produced by pass  6 Test12= 1.56D-13 8.33D-09 XBig12= 3.39D-07 2.18D-04.
     11 vectors produced by pass  7 Test12= 1.56D-13 8.33D-09 XBig12= 1.22D-08 2.47D-05.
     11 vectors produced by pass  8 Test12= 1.56D-13 8.33D-09 XBig12= 3.46D-10 2.65D-06.
     11 vectors produced by pass  9 Test12= 1.56D-13 8.33D-09 XBig12= 6.96D-12 3.13D-07.
      7 vectors produced by pass 10 Test12= 1.56D-13 8.33D-09 XBig12= 1.18D-13 3.91D-08.
      3 vectors produced by pass 11 Test12= 1.56D-13 8.33D-09 XBig12= 1.05D-14 1.31D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.143405D+03
      2  0.188449D+01  0.125863D+03
      3 -0.350988D+01  0.154811D+01  0.787830D+02
 Isotropic polarizability for W=    0.085645      116.02 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.755112D+02 -0.151810D+02  0.143863D+02
      2   0.389231D+02  0.149702D+01 -0.137524D+02
      3   0.365882D+02  0.136840D+02 -0.633876D+00
      4  -0.270595D+02 -0.331828D+02 -0.104273D+02
      5   0.152626D+02 -0.135515D+02  0.334727D+02
      6  -0.710260D+01 -0.127300D+01  0.918970D+00
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.284915D+00  0.108922D+01  0.176556D+01
      2   0.102017D+02 -0.561708D+01  0.131501D+02
      3   0.409521D+00  0.326586D+02  0.523191D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.312413D+01  0.124794D+02  0.127650D+02
      2  -0.876306D+00 -0.332472D+01 -0.311550D+01
      3  -0.118785D+02  0.721059D+02  0.644885D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.973620D+00 -0.137234D+01 -0.432957D+00
      2  -0.137234D+01  0.192723D+01 -0.282838D+01
      3  -0.432957D+00 -0.282838D+01 -0.105387D+01
 OR G Eigenvalues:    -3.2930    -0.6367     3.8294  Iso=     0.0334
 Eigenvectors:
   (1)   0.441578   0.514386   0.735130
   (2)   0.874345  -0.062859  -0.481218
   (3)  -0.201322   0.855252  -0.477508
 w=    0.085645 a.u., Optical Rotation Beta=      0.0334 au.
 Molar Mass =    132.2048 grams/mole, [Alpha] ( 5320.0 A) =       11.99 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   43956 ScalPx= 5.49D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   43956 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.31D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.60D-14 2.78D-09 XBig12= 1.00D+00 4.06D-01.
     30 vectors produced by pass  1 Test12= 2.60D-14 2.78D-09 XBig12= 4.86D-02 3.96D-02.
     30 vectors produced by pass  2 Test12= 2.60D-14 2.78D-09 XBig12= 1.77D-03 8.05D-03.
     30 vectors produced by pass  3 Test12= 2.60D-14 2.78D-09 XBig12= 3.32D-05 9.79D-04.
     30 vectors produced by pass  4 Test12= 2.60D-14 2.78D-09 XBig12= 6.21D-07 1.18D-04.
     30 vectors produced by pass  5 Test12= 2.60D-14 2.78D-09 XBig12= 7.98D-09 1.01D-05.
     30 vectors produced by pass  6 Test12= 2.60D-14 2.78D-09 XBig12= 7.98D-11 9.62D-07.
     30 vectors produced by pass  7 Test12= 2.60D-14 2.78D-09 XBig12= 5.94D-13 7.94D-08.
     11 vectors produced by pass  8 Test12= 2.60D-14 2.78D-09 XBig12= 4.85D-15 6.33D-09.
      4 vectors produced by pass  9 Test12= 2.60D-14 2.78D-09 XBig12= 4.33D-15 9.12D-09.
      3 vectors produced by pass 10 Test12= 2.60D-14 2.78D-09 XBig12= 4.17D-15 8.53D-09.
      1 vectors produced by pass 11 Test12= 2.60D-14 2.78D-09 XBig12= 6.22D-16 4.91D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.89D-15
 Solved reduced A of dimension   259 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   43956 ScalPx= 9.80D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   43956 ScalPx= 9.80D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   43956 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.23D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.143405D+03  0.188449D+01 -0.350988D+01
      2   0.188449D+01  0.125863D+03  0.154811D+01
      3  -0.350988D+01  0.154811D+01  0.787830D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.284915D+00  0.108922D+01  0.176556D+01
      2   0.102017D+02 -0.561708D+01  0.131501D+02
      3   0.409521D+00  0.326586D+02  0.523191D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.755112D+02 -0.151810D+02  0.143863D+02
      2   0.389231D+02  0.149702D+01 -0.137524D+02
      3   0.365882D+02  0.136840D+02 -0.633876D+00
      4  -0.270595D+02 -0.331828D+02 -0.104273D+02
      5   0.152626D+02 -0.135515D+02  0.334727D+02
      6  -0.710260D+01 -0.127300D+01  0.918970D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.599687D-01 -0.123600D+01 -0.644856D+00 -0.488876D+01 -0.122521D+00
      2  -0.123600D+01 -0.254160D+01 -0.618473D+00 -0.122521D+00 -0.231463D+01
      3  -0.644856D+00 -0.618473D+00 -0.122703D+01  0.610572D+00  0.399854D+00
                 6             7             8             9            10 
      1   0.610572D+00 -0.120278D+01 -0.533640D-01 -0.354128D+01 -0.515320D+01
      2   0.399854D+00 -0.533640D-01  0.487349D+00 -0.377797D+01  0.870876D+00
      3  -0.193040D+01 -0.354128D+01 -0.377797D+01  0.141273D+00 -0.455259D+00
                11            12            13            14            15 
      1   0.870876D+00 -0.455259D+00  0.131616D+01  0.215572D+01  0.302016D+00
      2  -0.254568D+01 -0.725372D-01  0.215572D+01  0.220878D+01 -0.362379D+00
      3  -0.725372D-01 -0.200872D+01  0.302016D+00 -0.362379D+00  0.538028D+00
                16            17            18            19            20 
      1  -0.745701D+00  0.569092D+00 -0.526324D+01  0.995814D+00 -0.297090D+01
      2   0.569092D+00  0.235302D+00  0.724988D+00 -0.297090D+01 -0.379592D+01
      3  -0.526324D+01  0.724988D+00  0.124673D+01 -0.311496D+00  0.572048D+00
                21            22            23            24            25 
      1  -0.311496D+00  0.499426D+01 -0.444056D+00 -0.125813D+00  0.130743D+00
      2   0.572048D+00 -0.444056D+00  0.741059D+00 -0.366380D+00  0.947070D+00
      3  -0.439645D+00 -0.125813D+00 -0.366380D+00  0.178144D+01 -0.245429D+01
                26            27            28            29            30 
      1   0.947070D+00 -0.245429D+01  0.721185D+00  0.282112D+01 -0.222899D+00
      2  -0.512979D+00  0.355879D+01  0.282112D+01  0.706217D+01 -0.801100D-01
      3   0.355879D+01  0.127914D+01 -0.222899D+00 -0.801100D-01  0.117730D+01
                31            32            33            34            35 
      1   0.114570D+02  0.433154D+01 -0.922218D+00  0.164387D+01 -0.280384D+00
      2   0.433154D+01  0.629396D+01 -0.451419D+00 -0.280384D+00 -0.293222D+00
      3  -0.922218D+00 -0.451419D+00  0.118785D+01  0.169521D+01  0.298286D+01
                36            37            38            39            40 
      1   0.169521D+01  0.148907D+02 -0.180243D+01 -0.182718D+01 -0.576181D+01
      2   0.298286D+01 -0.180243D+01  0.366877D+01  0.146536D+00 -0.331848D+01
      3   0.799629D-01 -0.182718D+01  0.146536D+00  0.168204D+01 -0.130725D+00
                41            42            43            44            45 
      1  -0.331848D+01 -0.130725D+00 -0.134566D+01 -0.410136D+00  0.323376D+01
      2  -0.572573D+00  0.574314D+00 -0.410136D+00  0.390340D+00 -0.829173D+00
      3   0.574314D+00  0.172267D+00  0.323376D+01 -0.829173D+00 -0.126553D+01
                46            47            48            49            50 
      1  -0.154000D+01  0.330676D+01  0.279419D+00 -0.555724D+01  0.811253D+00
      2   0.330676D+01  0.215881D+01 -0.419532D+00  0.811253D+00 -0.201785D+01
      3   0.279419D+00 -0.419532D+00  0.583502D+00  0.229524D+00  0.317045D+00
                51            52            53            54            55 
      1   0.229524D+00  0.585073D-01 -0.529685D+00  0.461578D+00 -0.394047D+01
      2   0.317045D+00 -0.529685D+00  0.124394D+00 -0.413155D+01  0.228817D+01
      3  -0.183342D+01  0.461578D+00 -0.413155D+01 -0.119927D+01  0.102750D+01
                56            57            58            59            60 
      1   0.228817D+01  0.102750D+01  0.287844D+01 -0.315422D+01  0.269131D+00
      2  -0.226578D+01  0.175692D+00 -0.315422D+01 -0.215851D+01 -0.151136D+01
      3   0.175692D+00 -0.170633D+01  0.269131D+00 -0.151136D+01  0.571499D+00
                61            62            63            64            65 
      1   0.308483D+01  0.161141D+00 -0.333766D+01 -0.401903D+01 -0.358746D+01
      2   0.161141D+00 -0.212711D+01  0.368035D+00 -0.358746D+01  0.958770D+00
      3  -0.333766D+01  0.368035D+00  0.781607D+01  0.207669D+01  0.648772D+00
                66            67            68            69            70 
      1   0.207669D+01 -0.373184D+01  0.847482D+00  0.810780D+00  0.332827D+01
      2   0.648772D+00  0.847482D+00  0.266504D+01  0.137959D+01  0.157241D+01
      3  -0.146515D+01  0.810780D+00  0.137959D+01  0.358518D+00 -0.232766D+01
                71            72            73            74            75 
      1   0.157241D+01 -0.232766D+01 -0.211512D+01  0.946003D+00 -0.202630D+00
      2   0.158280D+01  0.147362D+00  0.946003D+00 -0.211650D+01  0.814732D+00
      3   0.147362D+00 -0.576971D+01 -0.202630D+00  0.814732D+00 -0.283725D-01
                76            77            78            79            80 
      1   0.103969D+00 -0.379629D+01  0.888679D+00  0.501942D+00  0.171308D+01
      2  -0.379629D+01 -0.763656D+01 -0.562571D+00  0.171308D+01 -0.285446D-02
      3   0.888679D+00 -0.562571D+00 -0.337985D+01 -0.141998D+01 -0.570654D+01
                81            82            83            84            85 
      1  -0.141998D+01 -0.551331D+01 -0.413574D+01  0.181726D+00 -0.402001D+01
      2  -0.570654D+01 -0.413574D+01 -0.360131D+01  0.179345D+00 -0.464398D+01
      3   0.315277D+01  0.181726D+00  0.179345D+00 -0.609012D+00 -0.495927D-01
                86            87            88            89            90 
      1  -0.464398D+01 -0.495927D-01  0.331562D+00  0.149217D+00  0.207237D-01
      2  -0.657571D+01  0.471268D-02  0.149217D+00 -0.185853D-01 -0.123354D-02
      3   0.471268D-02 -0.721186D+00  0.207237D-01 -0.123354D-02 -0.953301D-02
                91            92            93            94            95 
      1  -0.130096D+02  0.133999D+01  0.136039D+01  0.148288D+01 -0.175067D+01
      2   0.133999D+01 -0.878195D+00 -0.140668D+00 -0.175067D+01  0.560474D+00
      3   0.136039D+01 -0.140668D+00 -0.108820D+01 -0.272896D+00  0.198447D+00
                96            97            98            99           100 
      1  -0.272896D+00  0.170936D+01 -0.309834D+00 -0.135314D+00 -0.218851D+01
      2   0.198447D+00 -0.309834D+00  0.183608D+00  0.514183D-01  0.240808D+01
      3   0.181703D+00 -0.135314D+00  0.514183D-01  0.153093D+00  0.350730D+00
               101           102           103           104           105 
      1   0.240808D+01  0.350730D+00  0.237681D+01 -0.362928D+01 -0.380457D+00
      2  -0.263185D+01 -0.390706D+00 -0.362928D+01  0.900560D+01  0.930306D+00
      3  -0.390706D+00 -0.439239D+00 -0.380457D+00  0.930306D+00  0.991617D+00
               106           107           108           109           110 
      1   0.386371D+00 -0.558333D+00 -0.120003D+00  0.122900D+01 -0.169026D+01
      2  -0.558333D+00  0.115842D+01  0.189635D+00 -0.169026D+01  0.194334D+01
      3  -0.120003D+00  0.189635D+00  0.104441D+00 -0.154158D+00  0.300654D+00
               111           112           113           114           115 
      1  -0.154158D+00 -0.135378D+01  0.168548D+01  0.135853D+00 -0.204183D+00
      2   0.300654D+00  0.168548D+01 -0.921194D+01 -0.931978D+00  0.283594D+00
      3   0.228750D+00  0.135853D+00 -0.931978D+00 -0.929838D+00 -0.582031D-01
               116           117           118           119           120 
      1   0.283594D+00 -0.582031D-01  0.264173D+01 -0.607012D+00 -0.191812D+01
      2  -0.948979D+00 -0.674613D-01 -0.607012D+00  0.739645D+00  0.116687D+00
      3  -0.674613D-01 -0.144595D+00 -0.191812D+01  0.116687D+00  0.173159D+01
               121           122           123           124           125 
      1  -0.100906D+01  0.151530D+01  0.124312D+00 -0.541014D+01  0.538594D+00
      2   0.151530D+01 -0.351453D+00 -0.955677D+00  0.538594D+00 -0.118970D+01
      3   0.124312D+00 -0.955677D+00 -0.345260D+00  0.366154D+01 -0.675999D+00
               126           127           128           129           130 
      1   0.366154D+01 -0.718100D+01 -0.771156D+00  0.130930D+01 -0.365527D+01
      2  -0.675999D+00 -0.771156D+00  0.283220D+01 -0.316610D+00  0.305579D+01
      3  -0.891309D+01  0.130930D+01 -0.316610D+00  0.155146D+01 -0.451463D+00
               131           132           133           134           135 
      1   0.305579D+01 -0.451463D+00  0.204431D+01 -0.105045D+01  0.107620D+01
      2   0.272094D+01  0.262988D+01 -0.105045D+01  0.303871D+01  0.676433D+00
      3   0.262988D+01  0.235841D+00  0.107620D+01  0.676433D+00 -0.598462D+01
               136           137           138           139           140 
      1   0.902728D+01  0.321292D+01 -0.175320D+01  0.285720D+01  0.207908D+01
      2   0.321292D+01  0.198829D+01 -0.620125D+00  0.207908D+01  0.165125D+01
      3  -0.175320D+01 -0.620125D+00  0.138185D+01 -0.591801D+00 -0.763276D+00
               141           142           143           144           145 
      1  -0.591801D+00 -0.377836D+01 -0.130974D+01  0.203016D+01  0.158391D+01
      2  -0.763276D+00 -0.130974D+01 -0.133904D+01  0.795160D+00  0.548535D+00
      3   0.502118D+00  0.203016D+01  0.795160D+00 -0.746017D+00  0.127300D+01
               146           147           148           149           150 
      1   0.548535D+00  0.127300D+01  0.159039D+00  0.422541D+00 -0.184329D+00
      2   0.400229D-01  0.135260D+00  0.422541D+00 -0.220391D+00  0.666905D+00
      3   0.135260D+00  0.970835D+00 -0.184329D+00  0.666905D+00 -0.379805D+00
               151           152           153           154           155 
      1   0.227562D+01  0.580373D-01  0.287038D+01  0.106550D+01  0.768511D+00
      2   0.580373D-01  0.147322D+01  0.621304D+00  0.768511D+00  0.257002D+00
      3   0.287038D+01  0.621304D+00  0.710969D+01 -0.938268D+00 -0.314711D+00
               156           157           158           159           160 
      1  -0.938268D+00  0.948199D+00  0.170027D+01 -0.577633D+00 -0.280080D+01
      2  -0.314711D+00  0.170027D+01  0.536208D+01 -0.251727D+01 -0.202668D+01
      3   0.320048D+00 -0.577633D+00 -0.251727D+01  0.230718D+01  0.135123D+01
               161           162           163           164           165 
      1  -0.202668D+01  0.135123D+01 -0.210710D+00  0.635394D+00  0.699986D+00
      2  -0.515882D+01  0.469862D+01  0.635394D+00 -0.741207D+00 -0.178863D+00
      3   0.469862D+01 -0.598356D+01  0.699986D+00 -0.178863D+00 -0.132695D+00
               166           167           168           169           170 
      1   0.140209D+01  0.127194D+01  0.193670D+00  0.106786D+01  0.326779D+00
      2   0.127194D+01  0.861607D+01  0.260987D+01  0.326779D+00  0.456837D+01
      3   0.193670D+00  0.260987D+01  0.206258D+01  0.525904D+00  0.334405D+01
               171           172           173           174           175 
      1   0.525904D+00  0.156048D+00  0.972237D-01  0.607187D+00  0.641832D+00
      2   0.334405D+01  0.972237D-01 -0.729795D+00  0.225292D+00 -0.287445D+00
      3   0.204171D+01  0.607187D+00  0.225292D+00 -0.113762D+01  0.953263D-01
               176           177           178           179           180 
      1  -0.287445D+00  0.953263D-01  0.158606D+01 -0.555271D+00  0.673851D+00
      2  -0.489501D+00  0.590195D+00 -0.555271D+00  0.156283D+01 -0.137003D+01
      3   0.590195D+00 -0.768396D-01  0.673851D+00 -0.137003D+01  0.739106D+01
               181           182           183           184           185 
      1   0.123688D+02 -0.187966D+01 -0.280010D+00  0.725827D+00  0.793309D+00
      2  -0.187966D+01  0.148809D+01 -0.806915D-01  0.793309D+00 -0.344732D+00
      3  -0.280010D+00 -0.806915D-01  0.112927D+01  0.981243D-01 -0.350273D+00
               186           187           188           189           190 
      1   0.981243D-01 -0.150657D+01  0.326090D+00  0.114148D+01  0.130938D+00
      2  -0.350273D+00  0.326090D+00 -0.732647D+00 -0.232100D+00 -0.562967D+00
      3   0.132086D+00  0.114148D+01 -0.232100D+00  0.909493D-01 -0.457859D+00
               191           192           193           194           195 
      1  -0.562967D+00 -0.457859D+00 -0.136591D+01  0.477248D+00 -0.710595D-01
      2  -0.128929D+01 -0.819914D-01  0.477248D+00 -0.793141D+01 -0.152853D+01
      3  -0.819914D-01 -0.474645D+00 -0.710595D-01 -0.152853D+01 -0.142612D+01
               196           197           198 
      1  -0.115511D+01  0.438774D+00 -0.844031D-01
      2   0.438774D+00 -0.248141D+01 -0.136659D+01
      3  -0.844031D-01 -0.136659D+01 -0.590959D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.134640D+01 -0.159126D+00 -0.278166D+01  0.125510D+01  0.327694D-02
      2   0.580060D+00  0.110588D+01  0.265877D+01 -0.480579D+00 -0.503004D+00
      3  -0.774606D+01 -0.111153D+02 -0.241207D+00  0.811408D+01 -0.281510D+01
                 6             7             8             9            10 
      1  -0.135105D+01 -0.822227D+01  0.348174D+01  0.149137D+01  0.460201D+00
      2   0.467910D+01 -0.247794D+01  0.118674D+02  0.891074D+00  0.705457D-01
      3  -0.119230D+00  0.116015D+01  0.190284D+01 -0.553874D+01  0.438992D+01
                11            12            13            14            15 
      1   0.648045D+00  0.409729D+00  0.111148D+01 -0.107877D+01  0.120302D+01
      2  -0.145289D+00  0.617002D+01 -0.204328D+01 -0.365148D+00 -0.848496D+00
      3  -0.782508D+01 -0.181289D+00  0.116786D+02  0.420356D+01 -0.143052D+01
                16            17            18            19            20 
      1   0.211254D+01  0.121247D+02  0.771083D+00  0.100707D+01 -0.954401D+00
      2   0.860207D+01 -0.331876D+01 -0.248002D+01  0.463682D+00  0.171611D-02
      3   0.124468D+01 -0.275208D+00  0.251701D+01 -0.278272D+01 -0.164707D+02
                21            22            23            24            25 
      1  -0.160246D+00 -0.101299D+01  0.284110D+00 -0.172262D+01  0.452423D+01
      2   0.153169D+00  0.117629D+01  0.153841D+01 -0.457225D+01 -0.912664D+01
      3  -0.576870D+00 -0.328021D+00  0.608102D+00 -0.350284D+00  0.318753D+00
                26            27            28            29            30 
      1   0.213268D+01  0.702899D-02 -0.168312D+01  0.175828D+01 -0.483255D+00
      2  -0.103326D+02 -0.822933D+00 -0.291958D+01 -0.146060D+01 -0.757506D+00
      3   0.884823D+00  0.553906D+01 -0.416675D+01  0.523354D+01  0.166339D+01
                31            32            33            34            35 
      1   0.174885D+01  0.726668D+00 -0.997033D+00 -0.321806D+01  0.649600D+01
      2   0.182127D+01 -0.173784D+01 -0.152804D+01 -0.146530D+02 -0.117623D+01
      3   0.970776D+01  0.215816D+02 -0.128610D+01  0.328468D+01 -0.151282D+01
                36            37            38            39            40 
      1   0.249818D+00  0.500155D+00  0.171566D+01  0.116565D+01  0.217849D+01
      2   0.115573D+01 -0.161100D+01 -0.938342D+00 -0.872339D+00 -0.988027D+00
      3   0.375814D+01 -0.821843D+01  0.113418D+02  0.139397D+01  0.100778D+02
                41            42            43            44            45 
      1  -0.321672D+00 -0.612784D+00  0.384991D+01  0.103473D+02 -0.642849D-01
      2   0.402305D+00  0.569639D+00 -0.124108D+02  0.337541D+00  0.117213D+01
      3  -0.655260D+01 -0.141701D+01 -0.757799D+00 -0.546294D+01 -0.266701D+01
                46            47            48            49            50 
      1   0.682954D+00 -0.565608D+00  0.237838D+01 -0.337255D+00 -0.878144D+00
      2  -0.268969D+01  0.181619D+01 -0.122725D+01 -0.124204D+00  0.648484D+00
      3   0.106047D+02 -0.460954D+01 -0.244961D+01  0.725909D+01 -0.731908D+01
                51            52            53            54            55 
      1  -0.266725D+01  0.449023D+01  0.253425D+00 -0.161894D+01 -0.109294D+01
      2   0.204575D+01 -0.142060D+02  0.182520D+01  0.233918D+01  0.160447D-01
      3  -0.124784D+00 -0.406382D+01  0.132825D+01 -0.567857D+01 -0.234373D+01
                56            57            58            59            60 
      1   0.177585D+01 -0.100933D+01  0.278112D+01 -0.885880D+00 -0.126087D+01
      2   0.831695D+00 -0.308916D+00  0.135784D+01 -0.534231D+01  0.848023D+00
      3  -0.337668D+01 -0.112501D+01  0.115058D+02  0.763414D+01  0.417760D+01
                61            62            63            64            65 
      1  -0.336841D+01  0.623400D+01  0.295775D+01 -0.316306D+01 -0.114070D+01
      2  -0.104750D+02  0.879578D+00  0.118453D+02  0.669428D+01  0.321423D+01
      3  -0.338464D+01  0.692713D+01  0.209523D+01  0.805253D+01 -0.119701D+02
                66            67            68            69            70 
      1   0.174906D+01 -0.180348D+01 -0.331593D+01 -0.241620D+01  0.364765D+01
      2  -0.188431D+01  0.373660D+01  0.330649D+01  0.353124D+00 -0.110928D+02
      3   0.153845D+01 -0.803257D+01 -0.550428D+01 -0.333826D+01  0.781049D+00
                71            72            73            74            75 
      1   0.192934D+01  0.551344D+01  0.628517D+00 -0.246424D+01 -0.396365D+00
      2  -0.119810D+01 -0.115799D+02 -0.128181D+01  0.897230D+00  0.181493D+01
      3  -0.422611D+01 -0.311419D+01 -0.709607D+01  0.847727D+00 -0.150551D+01
                76            77            78            79            80 
      1  -0.661640D+00  0.459036D+01  0.654605D+01  0.542696D+01  0.205378D+02
      2   0.181849D+00  0.195082D+00 -0.222477D+01 -0.534746D+01 -0.522906D+01
      3   0.129350D+02 -0.588715D+01  0.373714D+01 -0.751928D+00  0.738811D+01
                81            82            83            84            85 
      1  -0.594710D+01  0.344666D+00  0.391909D+00 -0.243650D+01 -0.168323D+00
      2   0.250907D+01 -0.638053D+00 -0.723077D+00  0.313762D+01  0.209609D-01
      3   0.116152D+01 -0.121098D+01 -0.459820D+01  0.295155D+00 -0.342980D+01
                86            87            88            89            90 
      1  -0.459775D-01 -0.321494D+01  0.118731D+01  0.150109D+01  0.300720D-01
      2  -0.168388D+00  0.324267D+01 -0.113339D+01 -0.109813D+01 -0.861768D-01
      3  -0.107015D+02  0.122901D+00 -0.385315D+00 -0.754415D+00  0.208395D+00
                91            92            93            94            95 
      1   0.541096D-01 -0.453972D+00  0.603505D+00 -0.221254D+00  0.141305D+00
      2  -0.191868D+01  0.209214D+00  0.639883D+01  0.672887D+00 -0.417808D+00
      3   0.230047D+01 -0.540916D+01 -0.282432D+00 -0.430277D+01  0.191758D+01
                96            97            98            99           100 
      1  -0.380214D+00 -0.496351D+00  0.259460D+00 -0.865139D-01 -0.909031D-01
      2  -0.971011D+00 -0.238659D+01  0.416341D+00 -0.591005D+00 -0.373487D+00
      3   0.579862D+00 -0.467158D+00  0.650396D+00 -0.105101D+00  0.100908D+01
               101           102           103           104           105 
      1   0.203696D+00  0.153939D+01  0.283941D-01  0.429873D+00 -0.431316D+01
      2   0.578858D+00  0.139733D+01  0.307640D+00 -0.168834D+01 -0.288466D+01
      3  -0.262200D+01 -0.361800D+00 -0.878867D+00  0.146328D+02  0.149497D+01
               106           107           108           109           110 
      1  -0.466600D+00  0.168404D+01 -0.404918D+00  0.174763D+00 -0.301068D-02
      2  -0.802499D+00  0.572364D+00 -0.287744D+00  0.591341D+00 -0.660549D+00
      3  -0.260688D+00  0.140163D+01 -0.229852D+00 -0.623861D+01  0.550629D+01
               111           112           113           114           115 
      1   0.129849D+01 -0.279219D+00  0.627836D+00 -0.429685D+01 -0.622014D+00
      2   0.150188D+00 -0.869720D+00  0.961582D+00 -0.166607D+00 -0.967164D+00
      3   0.534814D+00  0.804984D+01 -0.117445D+02 -0.111691D+01  0.106569D+01
               116           117           118           119           120 
      1   0.201635D+01 -0.287120D+00 -0.695135D+00 -0.138352D+01  0.758845D+00
      2   0.290119D+00 -0.213508D+00 -0.120385D+01 -0.106170D-01  0.314731D+01
      3  -0.185543D+01  0.259172D+00 -0.775757D+00 -0.331262D+01  0.110006D+01
               121           122           123           124           125 
      1  -0.122258D+01 -0.548732D+00 -0.835709D+00  0.893140D+00  0.259311D+01
      2   0.292416D+00 -0.216958D+00 -0.900824D+00  0.158938D+01 -0.519570D+00
      3  -0.230802D+01 -0.828301D+00  0.203431D+01  0.181838D+01  0.228569D+01
               126           127           128           129           130 
      1  -0.352435D+01  0.256747D+01 -0.170617D-01  0.282846D+01 -0.213446D+01
      2  -0.140307D+02  0.747865D+01 -0.192613D+01  0.556250D+01 -0.244669D+01
      3  -0.263007D+00  0.191845D+02 -0.115113D+02 -0.148825D+01 -0.189420D+01
               131           132           133           134           135 
      1   0.847800D+01 -0.247196D+00  0.262991D+00  0.431350D+01 -0.972073D+01
      2   0.658620D+01  0.610169D+00 -0.339903D+00  0.266245D+01 -0.152185D+02
      3  -0.163386D+02 -0.747162D+01 -0.107737D+01 -0.720950D+01 -0.420575D+01
               136           137           138           139           140 
      1   0.228472D+01  0.503605D+00 -0.247454D+01  0.661022D+00  0.740747D+00
      2  -0.456676D+01 -0.174608D+01  0.573818D+01 -0.166097D+01 -0.183741D+01
      3   0.467466D+01 -0.397525D+01 -0.956212D+00  0.507145D+00 -0.215328D+01
               141           142           143           144           145 
      1  -0.148803D+01 -0.253503D+01  0.156927D+00  0.117657D+01 -0.112798D+01
      2   0.187712D+01  0.379061D+01  0.175849D+01 -0.260211D+01  0.176481D+01
      3   0.132802D+01 -0.216263D+01  0.308719D+01  0.805958D+00 -0.149765D+00
               146           147           148           149           150 
      1   0.183432D+00 -0.139551D+01  0.323186D+00 -0.132844D+01 -0.260252D+00
      2  -0.230900D+00  0.307190D+01 -0.664582D+00  0.111602D+01 -0.688369D+00
      3  -0.205348D+00  0.138387D+01  0.170312D+01  0.231728D+01 -0.168297D+01
               151           152           153           154           155 
      1  -0.340528D+01  0.260778D+01 -0.827600D+01  0.193598D+01  0.215290D+00
      2   0.281187D+01  0.144803D+01  0.155640D+02  0.409530D+00 -0.160722D+00
      3   0.355424D+01 -0.523962D+01  0.191721D+01  0.377577D+01  0.288864D+00
               156           157           158           159           160 
      1  -0.685793D+00  0.122870D+01  0.350600D+01 -0.646590D+01 -0.303587D+01
      2   0.110296D+01  0.162671D+00 -0.178570D+01  0.197740D+01 -0.650413D+00
      3  -0.217318D+01  0.169424D+01 -0.657875D+00  0.709601D+00 -0.619098D+01
               161           162           163           164           165 
      1  -0.809173D+01  0.134387D+02 -0.110639D+01  0.566917D+00  0.496539D+00
      2   0.357271D+01 -0.467548D+01  0.279082D+00 -0.374600D+00  0.695710D+00
      3  -0.323761D+00 -0.889145D+00 -0.962856D+00 -0.300435D+00  0.174232D+01
               166           167           168           169           170 
      1  -0.142361D+01 -0.718068D+01 -0.733009D+01 -0.149183D+01 -0.728782D+01
      2  -0.438499D+00  0.212816D+01  0.160580D+01 -0.698615D+00  0.228310D+01
      3   0.464798D+01 -0.465038D+01 -0.221313D+01  0.431677D+01 -0.380619D+01
               171           172           173           174           175 
      1  -0.627795D+01  0.875673D+00 -0.568690D+00 -0.177882D+01 -0.145584D+00
      2   0.134360D+01  0.221699D+01  0.452950D+00 -0.222416D+01  0.120452D+00
      3  -0.206069D+01 -0.205331D+00  0.145331D+01 -0.155804D+01  0.122843D+01
               176           177           178           179           180 
      1   0.105138D+01 -0.110864D+01  0.391576D+00  0.135151D+01  0.129943D+02
      2   0.138044D+01 -0.432925D+00 -0.233248D+01 -0.298411D+01  0.186470D+02
      3   0.148579D+01 -0.142836D+01 -0.172741D+01 -0.361437D+01  0.343002D+01
               181           182           183           184           185 
      1  -0.209177D+00  0.196864D+00  0.208188D+01  0.282252D+00 -0.631984D+00
      2  -0.387293D+01 -0.135659D-01  0.604056D+01  0.234457D+00 -0.100419D+01
      3  -0.169056D+02 -0.474006D+01  0.931593D+00 -0.165686D+01 -0.359673D+00
               186           187           188           189           190 
      1  -0.428870D+00  0.140913D+01  0.360372D+00  0.179215D+00 -0.100117D+01
      2   0.534516D+00  0.197499D+01 -0.333089D+00  0.756706D-01 -0.124461D+01
      3   0.111298D+01  0.142731D+01  0.188913D+01 -0.102648D+01  0.386905D+01
               191           192           193           194           195 
      1  -0.449221D+00 -0.170789D+01 -0.432737D+00 -0.513733D+01 -0.574352D+01
      2   0.565046D-01 -0.573393D+00 -0.368786D+00 -0.319609D+01 -0.312535D+01
      3   0.443066D+01  0.154281D+01  0.542751D+01  0.220731D+02  0.492629D+01
               196           197           198 
      1  -0.391941D+00 -0.206191D+01 -0.182852D+01
      2  -0.137339D+01 -0.266520D+01 -0.119912D+01
      3   0.225805D+01  0.653517D+01  0.408680D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.481008D+00 -0.219877D+02 -0.135060D+01  0.272616D+02  0.675090D+01
      2  -0.400383D+01  0.168969D+02 -0.451711D-01 -0.264386D+02 -0.116777D+02
      3   0.352282D+01  0.509078D+01  0.139577D+01 -0.823016D+00  0.492683D+01
      4  -0.205038D+02  0.697300D+01  0.500981D+01  0.721057D+01 -0.137818D+02
      5   0.170084D+01  0.560632D+01  0.633849D+01 -0.134666D+01 -0.288972D+01
      6   0.486609D+01  0.246112D+01  0.618824D+01 -0.331961D+01  0.463679D+00
                 6             7             8             9            10 
      1  -0.190287D+00  0.660264D+01  0.607884D+01  0.262981D+01 -0.791639D+01
      2   0.117649D+01 -0.477884D+01 -0.507272D+01 -0.806539D+01  0.491943D+01
      3  -0.986200D+00 -0.182380D+01 -0.100612D+01  0.543558D+01  0.299696D+01
      4  -0.376915D+01  0.475204D+01 -0.280267D+01  0.169408D+02  0.426294D+01
      5   0.103201D+02  0.227862D+02  0.189285D+02  0.158381D+01  0.885926D+01
      6   0.416313D+01  0.112113D+02  0.146709D+02 -0.232183D+01 -0.376932D+00
                11            12            13            14            15 
      1   0.166363D+01  0.588756D+01 -0.129014D+02 -0.250460D+02 -0.233387D+01
      2  -0.377814D-01 -0.360953D+01  0.108649D+02  0.240511D+02  0.298058D+01
      3  -0.162584D+01 -0.227803D+01  0.203653D+01  0.994928D+00 -0.646717D+00
      4   0.221928D+02 -0.297405D+00 -0.266345D+02  0.850595D+01  0.367748D+01
      5  -0.847639D+00  0.133593D+02 -0.462525D+01  0.297611D+01 -0.210655D+01
      6  -0.121153D+01 -0.109956D+01  0.339456D+01 -0.775901D+00 -0.327711D+01
                16            17            18            19            20 
      1   0.102764D+02 -0.380007D+01  0.157155D+02  0.141726D+02  0.220203D+02
      2  -0.383564D+01  0.270676D+01 -0.208102D+02 -0.138425D+02 -0.163539D+02
      3  -0.644077D+01  0.109331D+01  0.509467D+01 -0.330131D+00 -0.566647D+01
      4  -0.602417D+01 -0.875980D+00 -0.188089D+01  0.116820D+02 -0.122252D+02
      5   0.365343D+02 -0.384482D+01 -0.541934D+01  0.116878D+01 -0.462105D+01
      6  -0.295750D+00  0.350334D+01 -0.121730D+01 -0.285943D+01  0.490571D+01
                21            22            23            24            25 
      1  -0.488712D+00 -0.211570D+02  0.132964D+02  0.180056D+01  0.974203D-01
      2   0.377535D+00  0.190364D+02 -0.204119D+02 -0.371038D+01  0.244704D+01
      3   0.111177D+00  0.212062D+01  0.711551D+01  0.190982D+01 -0.254446D+01
      4  -0.423827D+01  0.913227D+01  0.275224D+01  0.163619D+01 -0.470562D+01
      5  -0.895649D+00 -0.143175D+00  0.211022D+01 -0.894865D+01  0.115144D+02
      6  -0.813726D+00  0.113901D+01 -0.467612D+01  0.462939D+01 -0.827732D+01
                26            27            28            29            30 
      1  -0.252711D+01 -0.383350D+01 -0.104635D+02 -0.270430D+02 -0.782005D+00
      2  -0.254071D+01 -0.433296D+01  0.912757D+01  0.214566D+02 -0.137365D+01
      3   0.506782D+01  0.816646D+01  0.133591D+01  0.558637D+01  0.215566D+01
      4   0.650910D+01 -0.171582D+02 -0.989607D+01 -0.750748D+01 -0.752848D-01
      5  -0.166508D+02 -0.229856D+01 -0.940983D+00  0.291501D+00 -0.628298D+00
      6   0.142961D+02  0.214648D+01  0.257102D-01 -0.293798D+01  0.159945D+01
                31            32            33            34            35 
      1  -0.111456D+02 -0.851584D+01 -0.934593D-01  0.127222D+01  0.108314D+01
      2   0.368504D+00  0.763983D+01  0.411093D+00 -0.271426D+01 -0.109485D+01
      3   0.107771D+02  0.876005D+00 -0.317633D+00  0.144205D+01  0.117085D-01
      4   0.756365D+01 -0.887828D+01 -0.186876D+01 -0.531874D+00  0.166033D+01
      5  -0.216587D+01 -0.184855D+01 -0.793908D+00  0.128168D+01 -0.235242D+01
      6  -0.705821D+01 -0.174969D+01  0.276248D+01  0.309352D+01  0.950932D+01
                36            37            38            39            40 
      1  -0.124982D+02 -0.239130D+02  0.475063D+01 -0.343262D+00 -0.304018D+01
      2   0.163037D+01  0.846218D+01 -0.129245D+01 -0.834579D-02  0.582486D+01
      3   0.108679D+02  0.154508D+02 -0.345819D+01  0.351608D+00 -0.278468D+01
      4  -0.897271D+00 -0.669163D+01  0.681170D+01  0.955462D+00 -0.122443D+02
      5   0.185802D+01 -0.647002D+01 -0.487681D-01  0.847279D+00  0.168643D+00
      6  -0.896086D+00  0.777997D+00 -0.172147D+01 -0.154225D+01  0.536495D+01
                41            42            43            44            45 
      1  -0.395335D+01  0.447400D+00  0.378638D+01 -0.205207D+01 -0.890275D+01
      2   0.109936D+02  0.113678D+01 -0.522662D+00  0.258833D+01 -0.395330D+01
      3  -0.704021D+01 -0.158418D+01 -0.326372D+01 -0.536261D+00  0.128561D+02
      4   0.693009D+01  0.336059D+01 -0.157019D+01  0.355727D+01 -0.189982D+01
      5   0.235899D+01  0.111130D+00  0.301298D+01  0.767367D+00  0.330288D+00
      6   0.995581D+00 -0.560833D+00 -0.155954D+01  0.307608D+01  0.950304D-01
                46            47            48            49            50 
      1   0.727998D+01  0.963207D+01 -0.121348D+01  0.424421D+01  0.756609D+01
      2  -0.556481D+01 -0.106860D+02  0.109751D+01  0.461457D+01 -0.140092D+02
      3  -0.171517D+01  0.105396D+01  0.115969D+00 -0.885878D+01  0.644309D+01
      4   0.124200D+02 -0.197298D+02 -0.201893D+01  0.159690D+02  0.120379D+02
      5   0.354380D+00 -0.213407D+01 -0.346754D+01  0.133314D+01  0.483816D+00
      6  -0.390855D+01  0.257897D+01 -0.438097D+01  0.906737D-01 -0.464856D+01
                51            52            53            54            55 
      1   0.204530D+01 -0.162473D+01  0.589497D+00 -0.169591D+02  0.162040D+02
      2  -0.335013D+01  0.271822D+01 -0.424071D+01  0.592730D+01 -0.478744D+01
      3   0.130483D+01 -0.109349D+01  0.365121D+01  0.110318D+02 -0.114166D+02
      4   0.780847D-02  0.201824D+01  0.451632D+01  0.659718D+01  0.984459D+01
      5   0.202224D+01  0.103892D+01  0.683792D+01  0.475970D+01  0.437060D+01
      6   0.618858D+01 -0.296907D+01  0.193538D+02  0.475593D+01 -0.427374D+00
                56            57            58            59            60 
      1   0.822233D+00 -0.112705D+01  0.473810D+01 -0.744145D+01  0.122663D+01
      2   0.180145D+01 -0.336392D+01 -0.446521D+00  0.397305D+00  0.936456D+00
      3  -0.262369D+01  0.449097D+01 -0.429157D+01  0.704415D+01 -0.216308D+01
      4  -0.102984D+02  0.290654D+00 -0.203439D+02 -0.678827D+01 -0.751009D+01
      5   0.114406D+01 -0.798844D+01  0.182977D+01 -0.738682D+01  0.311294D+01
      6  -0.334987D+01  0.270176D+01 -0.542396D+01  0.277292D+01 -0.199433D+01
                61            62            63            64            65 
      1  -0.964097D+01  0.196486D+01  0.399526D+01 -0.153024D+02 -0.172553D+02
      2  -0.104253D+02  0.300380D+01  0.111527D+02  0.176416D+01  0.943222D+01
      3   0.200663D+02 -0.496866D+01 -0.151480D+02  0.135382D+02  0.782309D+01
      4   0.619555D+00 -0.118006D+02  0.487274D+01 -0.210579D+02 -0.676626D+01
      5  -0.157060D+02  0.295977D+01  0.328497D+02  0.140298D+02  0.502713D+01
      6   0.567022D+01 -0.445856D+00 -0.763317D+01  0.608772D+01  0.295302D+01
                66            67            68            69            70 
      1   0.882926D+01 -0.197191D+02  0.114343D+01  0.147949D+01  0.142114D+02
      2  -0.147008D+01  0.110916D+02  0.176027D+01  0.903573D+00  0.224277D-01
      3  -0.735918D+01  0.862748D+01 -0.290369D+01 -0.238306D+01 -0.142338D+02
      4   0.618399D+01 -0.281040D+01  0.129965D+02  0.689546D+01  0.126878D+02
      5  -0.777429D+01  0.587980D+01  0.580293D+01  0.805549D+00 -0.131955D+02
      6  -0.340181D+01  0.424114D+01  0.559615D+01  0.186819D+01 -0.615026D+01
                71            72            73            74            75 
      1   0.663974D+01 -0.813706D+01 -0.578804D+01  0.107244D+02 -0.396775D+01
      2  -0.170692D+01  0.150373D+02  0.911029D+01 -0.620947D+01  0.416467D+01
      3  -0.493282D+01 -0.690025D+01 -0.332225D+01 -0.451489D+01 -0.196912D+00
      4   0.905620D+01 -0.621039D+01  0.449714D+01  0.581284D+01 -0.171833D+00
      5  -0.209669D+01 -0.255976D+02 -0.161108D+01  0.735554D+00 -0.737861D+00
      6   0.284101D+01 -0.933761D+01  0.768705D+00  0.555762D+01 -0.133984D-02
                76            77            78            79            80 
      1   0.224229D+02  0.275522D+02  0.674776D+00 -0.893019D+01 -0.180338D+01
      2  -0.176606D+02 -0.291950D+02 -0.757754D+01  0.614329D+01 -0.802283D+01
      3  -0.476226D+01  0.164278D+01  0.690276D+01  0.278690D+01  0.982621D+01
      4   0.160890D+01 -0.572016D+01  0.765238D-01  0.365852D+00  0.227910D+01
      5   0.199748D+01  0.766695D+00 -0.586339D+01 -0.175499D+01 -0.900876D+01
      6   0.468827D+01 -0.573580D+01 -0.198361D+02 -0.101838D+02 -0.366504D+02
                81            82            83            84            85 
      1   0.257570D+02  0.246632D+02  0.150414D+02 -0.228645D+00  0.102310D+02
      2  -0.244856D+02 -0.459938D+01  0.108937D+01  0.507547D-01  0.718170D+01
      3  -0.127143D+01 -0.200638D+02 -0.161307D+02  0.177890D+00 -0.174128D+02
      4  -0.691419D+01  0.367959D+02  0.326275D+02 -0.109255D+01  0.366873D+02
      5   0.697633D+01 -0.367470D+00 -0.660331D+00  0.588297D+01  0.825909D+00
      6   0.152475D+02 -0.113783D+01 -0.117378D+01  0.341626D+01 -0.208751D+00
                86            87            88            89            90 
      1   0.439188D+01  0.260168D+00 -0.174791D+01 -0.124711D+01 -0.188600D+00
      2   0.171908D+02 -0.410498D+00  0.976060D+00  0.925469D+00  0.102604D+01
      3  -0.215827D+02  0.150330D+00  0.771846D+00  0.321639D+00 -0.837442D+00
      4   0.456008D+02 -0.349541D-02 -0.138749D+01 -0.415460D+00  0.204953D+01
      5   0.837090D+00  0.501061D+01  0.131449D+01  0.747320D+00 -0.327568D+00
      6  -0.611027D+00  0.545879D+01  0.100988D+01  0.183980D+01 -0.782171D-01
                91            92            93            94            95 
      1   0.972020D+02 -0.952005D+01 -0.847991D+01 -0.969646D+01  0.100405D+02
      2  -0.567855D+02  0.513963D+01  0.602906D+01  0.479497D+01 -0.498004D+01
      3  -0.404165D+02  0.438043D+01  0.245085D+01  0.490149D+01 -0.506046D+01
      4  -0.137328D+02  0.971309D+01  0.120006D+01  0.162576D+02 -0.479070D+01
      5  -0.124469D+02  0.121393D+01  0.114243D+02  0.226991D+01 -0.162450D+01
      6   0.145208D+00 -0.653508D+00 -0.699583D+00 -0.117662D+01  0.247469D+00
                96            97            98            99           100 
      1   0.133384D+01 -0.118369D+02  0.153718D+01  0.320470D+01  0.562960D+01
      2  -0.974072D+00  0.726177D+01 -0.848206D+00 -0.214330D+01  0.211614D+01
      3  -0.359766D+00  0.457512D+01 -0.688974D+00 -0.106140D+01 -0.774574D+01
      4  -0.168880D+01  0.266991D+01 -0.130805D+01 -0.106011D+01 -0.174841D+02
      5  -0.147350D+01  0.374271D+01 -0.350667D+00 -0.233595D+01 -0.197506D+01
      6   0.173883D+01 -0.432999D+00  0.947201D+00  0.397349D+00  0.176645D+01
               101           102           103           104           105 
      1  -0.438985D+01 -0.501112D+00 -0.196593D+00 -0.140850D+02 -0.160182D+01
      2  -0.402249D+01 -0.130268D-02 -0.961826D+01  0.339328D+02  0.231392D+01
      3   0.841234D+01  0.502415D+00  0.981485D+01 -0.198479D+02 -0.712099D+00
      4   0.209108D+02  0.265673D+01  0.243045D+02 -0.456897D+02 -0.450159D+01
      5   0.229419D+01  0.355946D+01  0.214729D+01 -0.344745D+01 -0.489410D+01
      6  -0.213845D+01 -0.243267D+01 -0.244214D+01  0.613998D+01  0.737985D+01
               106           107           108           109           110 
      1  -0.747217D+00 -0.904457D+00 -0.178015D+01 -0.478577D+01  0.774377D+01
      2  -0.758120D+00  0.299086D+01  0.237821D+01  0.676625D+01 -0.968135D+01
      3   0.150534D+01 -0.208640D+01 -0.598060D+00 -0.198048D+01  0.193758D+01
      4   0.411969D+01 -0.593650D+01 -0.167919D+01 -0.322141D+01  0.755938D+01
      5   0.123288D+01 -0.102845D+01 -0.896670D+00  0.287157D+00 -0.101383D-02
      6  -0.128742D+01  0.324183D+01  0.139020D+01  0.122501D+01 -0.225819D+01
               111           112           113           114           115 
      1   0.149914D+01  0.614815D+01 -0.358773D+02 -0.399239D+01  0.116373D+01
      2  -0.104791D+01 -0.809059D+01  0.502556D+02  0.394802D+01 -0.151532D+01
      3  -0.451223D+00  0.194244D+01 -0.143783D+02  0.443670D-01  0.351585D+00
      4   0.337045D+00  0.609861D+01  0.291625D+01  0.550437D+00  0.330081D+00
      5   0.888656D+00  0.404952D-01  0.176291D+01  0.631482D+00  0.647778D+00
      6  -0.172835D+01 -0.116710D+01  0.747974D+01  0.762496D+01 -0.282580D+00
               116           117           118           119           120 
      1  -0.368757D+01 -0.146682D+01  0.447183D+01 -0.707384D+00 -0.378544D+01
      2   0.462966D+01  0.163033D+01 -0.755161D+01  0.190715D+00  0.570811D+01
      3  -0.942087D+00 -0.163509D+00  0.307977D+01  0.516669D+00 -0.192267D+01
      4  -0.497703D+00 -0.144097D+01 -0.379262D+01  0.659992D+01  0.165204D+01
      5  -0.612382D+00 -0.530621D+00 -0.105071D+02  0.107566D+01  0.136099D+02
      6   0.262039D+01  0.141319D+01  0.194605D+01 -0.605184D-01 -0.150145D+01
               121           122           123           124           125 
      1  -0.426644D+00 -0.144980D+01 -0.408384D+00 -0.191838D+01 -0.894630D+00
      2  -0.479390D+00 -0.698247D+00  0.237464D+00  0.126072D+02 -0.108092D+01
      3   0.906034D+00  0.214804D+01  0.170920D+00 -0.106888D+02  0.197555D+01
      4   0.934049D+01 -0.271057D+01 -0.399411D+01  0.442485D+01 -0.573470D+01
      5   0.441168D+00 -0.395844D+01 -0.139461D+01  0.219520D+02 -0.351134D+01
      6  -0.154131D+01  0.113851D+01  0.701917D+01 -0.382779D+01  0.511842D+01
               126           127           128           129           130 
      1  -0.122068D+02 -0.556754D+02  0.832900D+01  0.425931D+01 -0.289472D+01
      2  -0.214832D+02  0.317390D+02 -0.121205D+02 -0.444920D+01 -0.414587D+01
      3   0.336901D+02  0.239364D+02  0.379148D+01  0.189891D+00  0.704059D+01
      4  -0.347781D+01  0.124989D+02  0.136268D+02 -0.326519D+01  0.205304D+02
      5  -0.368880D+02  0.479679D+01 -0.135525D+01  0.788024D+01 -0.353249D+01
      6   0.864666D+01 -0.638376D+01  0.233530D+01 -0.533985D+01  0.404137D+01
               131           132           133           134           135 
      1   0.227597D+02  0.529911D+01  0.926866D+01  0.312976D+01  0.153758D+02
      2  -0.255388D+02 -0.110093D+02 -0.170403D+01 -0.123044D+02  0.166011D+00
      3   0.277914D+01  0.571020D+01 -0.756462D+01  0.917462D+01 -0.155418D+02
      4   0.344468D+01  0.120833D+02 -0.894723D+01  0.139909D+02 -0.273687D+01
      5   0.143482D+02  0.889586D+00  0.720426D+01  0.173917D+01 -0.249364D+02
      6  -0.127241D+02 -0.444282D-01 -0.413387D+01 -0.121064D+01  0.167772D+02
               136           137           138           139           140 
      1   0.481626D+02  0.134851D+02 -0.900146D+01  0.110906D+02  0.552120D+01
      2  -0.216647D+02 -0.295476D+01  0.413231D+01 -0.152673D+01  0.266257D+01
      3  -0.264979D+02 -0.105303D+02  0.486915D+01 -0.956383D+01 -0.818377D+01
      4   0.338807D+02  0.198460D+02 -0.655066D+01  0.192325D+02  0.135044D+02
      5  -0.135700D+02 -0.434156D+01  0.107010D+02 -0.410635D+01 -0.495023D+01
      6  -0.567106D+01 -0.294319D+01  0.445431D+01 -0.293425D+01 -0.307407D+01
               141           142           143           144           145 
      1  -0.142318D+01 -0.153839D+02 -0.308680D+01  0.675959D+01  0.684296D+01
      2  -0.646569D+00  0.788430D+01 -0.128646D+00 -0.578174D+01 -0.606719D+01
      3   0.206975D+01  0.749958D+01  0.321545D+01 -0.977848D+00 -0.775770D+00
      4  -0.537930D+01 -0.121509D+02 -0.948755D+01  0.752382D+01  0.521757D+01
      5   0.342701D+01  0.143906D+02  0.538168D+01 -0.676972D+01  0.764973D+01
      6   0.312885D+01  0.655230D+01  0.373794D+01 -0.337270D+01  0.227557D+01
               146           147           148           149           150 
      1   0.324450D+01  0.447613D+01  0.414838D+00 -0.109286D+01 -0.159281D+01
      2  -0.187175D+01 -0.472573D+01  0.118662D+01 -0.108301D+01  0.238946D+01
      3  -0.137274D+01  0.249605D+00 -0.160146D+01  0.217586D+01 -0.796651D+00
      4   0.269348D+01  0.209917D+01  0.359984D+01 -0.115706D+01  0.343380D+01
      5   0.545760D+00  0.929331D+01 -0.143646D+01  0.334539D+01 -0.204288D+01
      6   0.922289D+00  0.193794D+01  0.106913D+01  0.997693D+00  0.445613D+01
               151           152           153           154           155 
      1   0.823297D+01 -0.215207D+01 -0.157514D+01  0.584427D+00  0.436922D+00
      2  -0.111984D+02  0.184364D+01 -0.181415D+02 -0.120232D+01 -0.186721D+00
      3   0.296548D+01  0.308438D+00  0.197166D+02  0.617888D+00 -0.250201D+00
      4   0.474891D+01  0.759777D+01  0.661527D+01  0.302990D+01  0.625427D+01
      5   0.181496D+02  0.343901D+01  0.336619D+02 -0.211461D+01 -0.333027D+01
      6   0.619373D+01  0.487775D+01  0.147246D+02 -0.575470D+01 -0.173536D+01
               156           157           158           159           160 
      1  -0.508126D+00 -0.486138D+01 -0.226145D+02  0.110234D+02  0.404300D+01
      2   0.316078D-03  0.600330D+01  0.258720D+02 -0.100020D+02 -0.307005D+01
      3   0.507810D+00 -0.114192D+01 -0.325748D+01 -0.102146D+01 -0.972956D+00
      4  -0.494051D+01  0.518409D+01  0.816396D+01 -0.402047D+01 -0.920045D+01
      5   0.548670D+01 -0.214387D+01 -0.461617D+01  0.420727D+01  0.673336D+01
      6   0.154195D+01 -0.407039D+01 -0.173198D+02  0.172332D+02  0.886130D+01
               161           162           163           164           165 
      1   0.221170D+02 -0.243897D+02 -0.159004D+00  0.384980D+01  0.222645D+01
      2  -0.181709D+02  0.117874D+02  0.212566D+01 -0.437935D+01 -0.174277D+01
      3  -0.394604D+01  0.126023D+02 -0.196665D+01  0.529549D+00 -0.483675D+00
      4  -0.897070D+01  0.682193D+01  0.101598D+01  0.710490D+01  0.343181D+01
      5   0.909028D+01 -0.106164D+02  0.994998D+00  0.162355D+01  0.236235D+01
      6   0.311027D+02 -0.330992D+02  0.443216D+01 -0.129086D+01 -0.870989D+00
               166           167           168           169           170 
      1  -0.292521D+01 -0.345221D+02 -0.106714D+02  0.441733D+00 -0.188714D+02
      2   0.464462D+01  0.498903D+02  0.150294D+02  0.122050D+01  0.249503D+02
      3  -0.171941D+01 -0.153681D+02 -0.435805D+01 -0.166223D+01 -0.607885D+01
      4   0.695155D+01  0.100939D+02  0.291942D+01  0.544828D+01  0.533956D+01
      5   0.165813D+01  0.346838D+01  0.313753D+01  0.336778D+01  0.496246D+01
      6   0.178414D+01  0.206776D+02  0.155397D+02  0.382137D+01  0.238404D+02
               171           172           173           174           175 
      1  -0.151587D+02  0.321482D+01 -0.240188D+01  0.549361D+01  0.102826D+01
      2   0.138464D+02 -0.364311D+01  0.286406D+01 -0.885314D+00 -0.745153D+00
      3   0.131239D+01  0.428283D+00 -0.462176D+00 -0.460830D+01 -0.283103D+00
      4   0.394535D+01 -0.172315D+00 -0.205443D+01 -0.163132D+01 -0.749832D+00
      5   0.222699D+01  0.177977D+01  0.207603D+00 -0.519229D+00  0.676041D+00
      6   0.145005D+02 -0.155136D+01 -0.162740D+01  0.339941D+01 -0.543866D-01
               176           177           178           179           180 
      1  -0.566171D+01  0.205465D+01  0.662340D+01  0.373055D+01 -0.172896D+02
      2   0.397738D+01 -0.227764D+01 -0.381368D+01 -0.290728D+01 -0.905540D+01
      3   0.168434D+01  0.222995D+00 -0.280972D+01 -0.823270D+00  0.263450D+02
      4  -0.104095D+01  0.219182D+01 -0.675374D+01  0.759631D+01 -0.315564D+01
      5   0.180666D+01 -0.468462D+00  0.782666D+01 -0.619936D+01  0.318894D+02
      6  -0.192691D+01  0.575095D+01 -0.215506D+01  0.913165D+01 -0.248159D+02
               181           182           183           184           185 
      1   0.840257D+02 -0.799685D+01 -0.330793D+01  0.570633D+01  0.396902D+01
      2  -0.431595D+02  0.570547D+00  0.133290D+01 -0.566788D+01  0.435353D+00
      3  -0.408661D+02  0.742630D+01  0.197503D+01 -0.384496D-01 -0.440437D+01
      4  -0.354252D+02  0.160730D+02  0.694123D+00  0.751730D+01 -0.295234D+01
      5   0.194493D+01 -0.556695D+00  0.104624D+02  0.617782D+00 -0.159631D+01
      6   0.172278D+01  0.791323D+00 -0.403589D+01  0.243757D+00  0.115916D+01
               186           187           188           189           190 
      1  -0.718767D+00 -0.756140D+01 -0.281313D+00  0.563308D+01  0.227516D+01
      2   0.124617D+01  0.395446D+01  0.199458D+01 -0.476256D+01  0.113800D+01
      3  -0.527406D+00  0.360694D+01 -0.171327D+01 -0.870516D+00 -0.341316D+01
      4  -0.174044D+01  0.395586D+01 -0.372038D+01 -0.271262D+01 -0.128334D+01
      5   0.967952D+00  0.106000D+02 -0.155459D+01 -0.675888D+00 -0.144365D+01
      6   0.636195D+00 -0.323681D+01  0.171889D+01 -0.511152D+00  0.203156D+01
               191           192           193           194           195 
      1  -0.792903D+01 -0.226582D+01 -0.557798D+01 -0.266401D+02 -0.565109D+01
      2   0.909866D+01  0.216970D+01  0.172020D+01  0.463527D+02  0.931282D+01
      3  -0.116963D+01  0.961196D-01  0.385777D+01 -0.197126D+02 -0.366173D+01
      4  -0.354551D+00  0.131916D+01  0.899924D+01 -0.315522D+02 -0.586649D+01
      5  -0.320509D+00 -0.130204D+01 -0.385438D+00 -0.774919D+01 -0.665740D+01
      6   0.596750D+00  0.260912D+01 -0.170144D+00  0.712149D+01  0.891746D+01
               196           197           198 
      1  -0.428851D+01 -0.659457D+01 -0.720652D+01
      2   0.144107D+01  0.114536D+02  0.591108D+01
      3   0.284744D+01 -0.485907D+01  0.129544D+01
      4   0.513063D+01 -0.105525D+02 -0.414263D+01
      5   0.730591D+00 -0.575877D+01 -0.235331D+01
      6   0.263172D+00  0.874276D+01  0.473664D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sat Jul 24 18:02:38 2021, MaxMem= 16106127360 cpu:            8939.0 elap:             560.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.30394 -10.29806 -10.29756 -10.29653 -10.29636
 Alpha  occ. eigenvalues --  -10.29596 -10.29576 -10.29559 -10.29431 -10.28801
 Alpha  occ. eigenvalues --   -0.96937  -0.90978  -0.85776  -0.81967  -0.80308
 Alpha  occ. eigenvalues --   -0.74027  -0.69886  -0.66546  -0.65178  -0.59632
 Alpha  occ. eigenvalues --   -0.56068  -0.54973  -0.52935  -0.51445  -0.51158
 Alpha  occ. eigenvalues --   -0.49162  -0.47045  -0.46123  -0.45365  -0.43335
 Alpha  occ. eigenvalues --   -0.42088  -0.41367  -0.40720  -0.40162  -0.32530
 Alpha  occ. eigenvalues --   -0.31104
 Alpha virt. eigenvalues --    0.05616   0.06569   0.09117   0.10297   0.10820
 Alpha virt. eigenvalues --    0.12519   0.13122   0.13395   0.14145   0.16031
 Alpha virt. eigenvalues --    0.16665   0.17024   0.19016   0.19310   0.20080
 Alpha virt. eigenvalues --    0.20699   0.21699   0.22674   0.22782   0.23689
 Alpha virt. eigenvalues --    0.24040   0.24079   0.24755   0.25048   0.26231
 Alpha virt. eigenvalues --    0.27115   0.28075   0.28826   0.29872   0.30545
 Alpha virt. eigenvalues --    0.31117   0.32057   0.32604   0.33653   0.33824
 Alpha virt. eigenvalues --    0.34556   0.35040   0.35711   0.36542   0.36839
 Alpha virt. eigenvalues --    0.37618   0.37967   0.38245   0.39497   0.39883
 Alpha virt. eigenvalues --    0.40099   0.40585   0.41272   0.41766   0.42181
 Alpha virt. eigenvalues --    0.42628   0.42889   0.43098   0.43471   0.44174
 Alpha virt. eigenvalues --    0.44300   0.45218   0.45615   0.46379   0.46588
 Alpha virt. eigenvalues --    0.47046   0.47338   0.47624   0.48365   0.48700
 Alpha virt. eigenvalues --    0.48966   0.49535   0.50446   0.50745   0.52018
 Alpha virt. eigenvalues --    0.52709   0.52829   0.53280   0.54123   0.54396
 Alpha virt. eigenvalues --    0.55247   0.55571   0.55798   0.56109   0.56961
 Alpha virt. eigenvalues --    0.57202   0.57912   0.58410   0.59513   0.60160
 Alpha virt. eigenvalues --    0.60967   0.61505   0.62917   0.63989   0.64140
 Alpha virt. eigenvalues --    0.65354   0.65539   0.66640   0.66993   0.67599
 Alpha virt. eigenvalues --    0.67663   0.68751   0.69342   0.69819   0.70713
 Alpha virt. eigenvalues --    0.71814   0.72078   0.73162   0.73698   0.74514
 Alpha virt. eigenvalues --    0.76601   0.76963   0.77813   0.79542   0.80659
 Alpha virt. eigenvalues --    0.81967   0.83328   0.83960   0.84748   0.86052
 Alpha virt. eigenvalues --    0.87055   0.87844   0.89210   0.90863   0.93022
 Alpha virt. eigenvalues --    0.94068   0.94616   0.97939   0.99836   1.01343
 Alpha virt. eigenvalues --    1.01678   1.02460   1.03984   1.05223   1.06149
 Alpha virt. eigenvalues --    1.07251   1.08526   1.09756   1.10051   1.10349
 Alpha virt. eigenvalues --    1.11612   1.12921   1.13444   1.15015   1.15810
 Alpha virt. eigenvalues --    1.16467   1.19089   1.19791   1.20446   1.21648
 Alpha virt. eigenvalues --    1.22017   1.23090   1.24253   1.26880   1.27426
 Alpha virt. eigenvalues --    1.29703   1.31197   1.32308   1.33348   1.34035
 Alpha virt. eigenvalues --    1.35190   1.35907   1.38305   1.38500   1.39724
 Alpha virt. eigenvalues --    1.41647   1.44149   1.45580   1.47155   1.50584
 Alpha virt. eigenvalues --    1.51860   1.52137   1.55299   1.57509   1.58336
 Alpha virt. eigenvalues --    1.60349   1.61507   1.67049   1.69809   1.69976
 Alpha virt. eigenvalues --    1.72535   1.73549   1.74403   1.76667   1.78449
 Alpha virt. eigenvalues --    1.80710   1.82159   1.83337   1.85195   1.86208
 Alpha virt. eigenvalues --    1.87857   1.89596   1.92049   1.92915   1.95192
 Alpha virt. eigenvalues --    1.95771   1.98523   1.98608   1.99974   2.00887
 Alpha virt. eigenvalues --    2.02341   2.06791   2.08889   2.09645   2.10136
 Alpha virt. eigenvalues --    2.10768   2.12324   2.13598   2.14515   2.17193
 Alpha virt. eigenvalues --    2.17526   2.19426   2.21761   2.22580   2.23971
 Alpha virt. eigenvalues --    2.26151   2.27050   2.27723   2.30812   2.31514
 Alpha virt. eigenvalues --    2.32585   2.37233   2.38363   2.44229   2.45316
 Alpha virt. eigenvalues --    2.46603   2.47878   2.48089   2.50250   2.51181
 Alpha virt. eigenvalues --    2.53871   2.55480   2.58699   2.60738   2.61596
 Alpha virt. eigenvalues --    2.63783   2.66074   2.67944   2.69128   2.70973
 Alpha virt. eigenvalues --    2.72697   2.79238   2.80587   2.82504   2.84856
 Alpha virt. eigenvalues --    2.86489   2.94492   2.95486   2.97366   2.98770
 Alpha virt. eigenvalues --    3.03874   3.08977   3.10016   3.14092   3.15133
 Alpha virt. eigenvalues --    3.16364   3.19809   3.23093   3.25493   3.25563
 Alpha virt. eigenvalues --    3.27202   3.30492   3.33267   3.45181   3.77769
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.399372   0.146265   0.543255  -0.190102   0.352468  -0.184972
     2  C    0.146265   5.965090  -0.049329   0.277605  -0.116851   0.598981
     3  C    0.543255  -0.049329   7.802790  -1.028415   0.251383  -0.322316
     4  C   -0.190102   0.277605  -1.028415   9.792272  -1.467167  -0.066868
     5  C    0.352468  -0.116851   0.251383  -1.467167   8.949289  -0.700903
     6  C   -0.184972   0.598981  -0.322316  -0.066868  -0.700903   7.913173
     7  C   -0.004595   0.058376   0.059069  -0.852430   0.150204  -0.442724
     8  C   -0.004836  -0.006516   0.043128  -0.079227  -0.158154   0.080162
     9  C    0.053236   0.010515  -0.331362   0.126730  -0.467839   0.006242
    10  H   -0.063592  -0.220037  -0.063413   0.040331  -0.016467  -0.166373
    11  H   -0.256243  -0.034085  -0.224673   0.030876   0.032520  -0.057620
    12  H   -0.089468  -0.282392  -0.241940  -0.523253   0.266252   0.117129
    13  H   -0.395062  -0.090350   0.117173   0.280568  -0.716912  -0.162373
    14  H   -0.010361  -0.007557  -0.012261   0.257712  -0.039731   0.076808
    15  C    0.002334  -0.001025  -0.003797   0.064807  -0.062182  -0.059411
    16  H   -0.000581  -0.000023   0.008207  -0.056898   0.020453  -0.006447
    17  H   -0.000018  -0.001990  -0.011481   0.074614  -0.045470   0.018369
    18  H   -0.002836  -0.000129   0.000176   0.114395   0.046375  -0.004379
    19  H   -0.002846  -0.001168  -0.002918  -0.014288   0.088202  -0.007863
    20  H    0.001668   0.000153  -0.000965  -0.014945   0.065399  -0.029029
    21  H   -0.000014   0.000037  -0.000276  -0.004282   0.008108  -0.000223
    22  H   -0.001009   0.000290   0.001289   0.002576  -0.106233   0.021514
               7          8          9         10         11         12
     1  C   -0.004595  -0.004836   0.053236  -0.063592  -0.256243  -0.089468
     2  C    0.058376  -0.006516   0.010515  -0.220037  -0.034085  -0.282392
     3  C    0.059069   0.043128  -0.331362  -0.063413  -0.224673  -0.241940
     4  C   -0.852430  -0.079227   0.126730   0.040331   0.030876  -0.523253
     5  C    0.150204  -0.158154  -0.467839  -0.016467   0.032520   0.266252
     6  C   -0.442724   0.080162   0.006242  -0.166373  -0.057620   0.117129
     7  C    7.008689   0.274806  -0.088612  -0.001206  -0.002492   0.010965
     8  C    0.274806   4.875838   0.227236  -0.000192   0.000733  -0.009575
     9  C   -0.088612   0.227236   5.458689  -0.001580   0.002399  -0.035822
    10  H   -0.001206  -0.000192  -0.001580   1.950591  -0.444207   0.048126
    11  H   -0.002492   0.000733   0.002399  -0.444207   2.052587  -0.430061
    12  H    0.010965  -0.009575  -0.035822   0.048126  -0.430061   1.682604
    13  H   -0.006919   0.000504   0.001115  -0.440039   0.050988  -0.013360
    14  H   -0.334957  -0.021588   0.012862  -0.002035   0.000495  -0.001348
    15  C    0.252329  -0.085931   0.011030   0.000308  -0.000102   0.000116
    16  H    0.158623   0.307582  -0.018794   0.000033  -0.000026   0.000425
    17  H   -0.068977   0.321566   0.016413  -0.000089   0.000127  -0.002696
    18  H    0.030393  -0.007195   0.138982   0.000149  -0.000536   0.000025
    19  H    0.015228   0.006038   0.141634   0.000192  -0.001644   0.037564
    20  H    0.108402  -0.032811   0.010280   0.000447  -0.000018   0.000067
    21  H    0.088921   0.026269  -0.006515   0.000022  -0.000000  -0.000005
    22  H    0.114788   0.017703  -0.000099  -0.000280  -0.000003  -0.000018
              13         14         15         16         17         18
     1  C   -0.395062  -0.010361   0.002334  -0.000581  -0.000018  -0.002836
     2  C   -0.090350  -0.007557  -0.001025  -0.000023  -0.001990  -0.000129
     3  C    0.117173  -0.012261  -0.003797   0.008207  -0.011481   0.000176
     4  C    0.280568   0.257712   0.064807  -0.056898   0.074614   0.114395
     5  C   -0.716912  -0.039731  -0.062182   0.020453  -0.045470   0.046375
     6  C   -0.162373   0.076808  -0.059411  -0.006447   0.018369  -0.004379
     7  C   -0.006919  -0.334957   0.252329   0.158623  -0.068977   0.030393
     8  C    0.000504  -0.021588  -0.085931   0.307582   0.321566  -0.007195
     9  C    0.001115   0.012862   0.011030  -0.018794   0.016413   0.138982
    10  H   -0.440039  -0.002035   0.000308   0.000033  -0.000089   0.000149
    11  H    0.050988   0.000495  -0.000102  -0.000026   0.000127  -0.000536
    12  H   -0.013360  -0.001348   0.000116   0.000425  -0.002696   0.000025
    13  H    1.883089   0.051077   0.002604  -0.001699   0.002562  -0.000217
    14  H    0.051077   1.180136   0.058147  -0.088252   0.027502  -0.002201
    15  C    0.002604   0.058147   4.238871  -0.019401  -0.039784   0.001286
    16  H   -0.001699  -0.088252  -0.019401   0.885264  -0.051637  -0.060264
    17  H    0.002562   0.027502  -0.039784  -0.051637   0.816251   0.003851
    18  H   -0.000217  -0.002201   0.001286  -0.060264   0.003851   0.696996
    19  H   -0.000445   0.001798   0.000338   0.029543  -0.053452  -0.011338
    20  H   -0.015330  -0.006610   0.270627  -0.002772  -0.002854   0.000642
    21  H   -0.002944  -0.007670   0.262346   0.005627  -0.012694  -0.000443
    22  H    0.028613   0.011739   0.221479   0.004129   0.003592  -0.000251
              19         20         21         22
     1  C   -0.002846   0.001668  -0.000014  -0.001009
     2  C   -0.001168   0.000153   0.000037   0.000290
     3  C   -0.002918  -0.000965  -0.000276   0.001289
     4  C   -0.014288  -0.014945  -0.004282   0.002576
     5  C    0.088202   0.065399   0.008108  -0.106233
     6  C   -0.007863  -0.029029  -0.000223   0.021514
     7  C    0.015228   0.108402   0.088921   0.114788
     8  C    0.006038  -0.032811   0.026269   0.017703
     9  C    0.141634   0.010280  -0.006515  -0.000099
    10  H    0.000192   0.000447   0.000022  -0.000280
    11  H   -0.001644  -0.000018  -0.000000  -0.000003
    12  H    0.037564   0.000067  -0.000005  -0.000018
    13  H   -0.000445  -0.015330  -0.002944   0.028613
    14  H    0.001798  -0.006610  -0.007670   0.011739
    15  C    0.000338   0.270627   0.262346   0.221479
    16  H    0.029543  -0.002772   0.005627   0.004129
    17  H   -0.053452  -0.002854  -0.012694   0.003592
    18  H   -0.011338   0.000642  -0.000443  -0.000251
    19  H    0.662480   0.000212  -0.000072   0.000114
    20  H    0.000212   0.672812  -0.035831  -0.029439
    21  H   -0.000072  -0.035831   0.742065  -0.048938
    22  H    0.000114  -0.029439  -0.048938   0.783243
 Mulliken charges:
               1
     1  C   -0.292064
     2  C   -0.245860
     3  C   -0.533325
     4  C   -0.764610
     5  C   -0.332744
     6  C   -0.620879
     7  C   -0.527884
     8  C    0.224460
     9  C    0.733258
    10  H    0.379312
    11  H    0.280985
    12  H    0.466664
    13  H    0.427359
    14  H   -0.143703
    15  C    0.885010
    16  H   -0.113092
    17  H    0.006294
    18  H    0.056517
    19  H    0.112690
    20  H    0.039896
    21  H   -0.013488
    22  H   -0.024797
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.087248
     2  C    0.035125
     3  C   -0.066661
     4  C   -0.764610
     5  C   -0.332744
     6  C   -0.193520
     7  C   -0.671587
     8  C    0.117662
     9  C    0.902465
    15  C    0.886621
 Electronic spatial extent (au):  <R**2>=           1422.0181
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.6318    Y=              0.2207    Z=             -0.1193  Tot=              0.6798
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -57.6999   YY=            -57.1735   ZZ=            -63.2681
   XY=              0.1184   XZ=             -1.0708   YZ=              0.5808
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.6806   YY=              2.2070   ZZ=             -3.8876
   XY=              0.1184   XZ=             -1.0708   YZ=              0.5808
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -7.5981  YYY=             -0.8527  ZZZ=             -0.2750  XYY=             -3.9498
  XXY=              0.2912  XXZ=              0.9622  XZZ=              7.5005  YZZ=              2.1713
  YYZ=             -0.6220  XYZ=             -0.6414
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1158.5699 YYYY=           -634.5271 ZZZZ=           -113.6362 XXXY=              4.6324
 XXXZ=            -14.8776 YYYX=              2.6734 YYYZ=              7.3950 ZZZX=              0.5273
 ZZZY=             -1.6231 XXYY=           -303.4547 XXZZ=           -234.4123 YYZZ=           -131.8390
 XXYZ=              1.2489 YYXZ=             -3.2136 ZZXY=             -0.1426
 N-N= 5.041704115605D+02 E-N=-1.904406112488D+03  KE= 3.832063318097D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sat Jul 24 18:02:38 2021, MaxMem= 16106127360 cpu:               3.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.28478003D-01 8.49444388D-02-4.65017555D-02
 Polarizability= 1.37957720D+02 1.63918920D+00 1.21489626D+02
                -3.54523752D+00 1.51232014D+00 7.49665008D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.7555    1.7549        0.9420    0.9422
 2     -1.7555   -1.7549       -0.7740   -0.7741       -8.7655   -8.7708
 3     -0.9420   -0.9422       32.3131   32.3109        0.7730    0.7741
 4      0.7740    0.7741       -0.0000    0.0000       -0.9415   -0.9422
 5    -23.5475  -23.5401        0.9415    0.9422        1.7555    1.7549
 6     -0.7730   -0.7741       -1.7555   -1.7549       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -5.2648   -5.2648        2.8267    2.8267
 2      2.3222    2.3222       -0.0000    0.0000        2.8267    2.8267
 3      2.3222    2.3222       -5.2648   -5.2648       -0.0000    0.0000
 4     -5.2648   -5.2648       -2.3222   -2.3222      -26.3123  -26.3123
 5     -2.8267   -2.8267       96.9327   96.9327        2.3222    2.3222
 6    -70.6204  -70.6204        2.8267    2.8267        5.2648    5.2648
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0560    0.0000       -6.7505   -7.0198       -3.6990   -3.7690
 2      6.8050    7.0198        3.0113    3.0962       34.7022   35.0830
 3      3.7710    3.7690     -129.3958 -129.2435       -3.0768   -3.0962
 4     -2.9626   -3.0962        0.0460    0.0000        3.8285    3.7690
 5     94.2932   94.1605       -3.7724   -3.7690       -7.0490   -7.0198
 6      3.0586    3.0962        7.0459    7.0198        0.0327    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0626    0.0000        2.1927    2.1751      -11.1200  -11.2909
 2     -1.9299   -2.1751       45.8676   45.8087       12.0050   11.8040
 3     10.9142   11.2909        9.9090    9.8940      -45.9278  -45.8087
 4    -45.6132  -45.8087        0.0010    0.0000       11.0809   11.2909
 5    -21.6244  -21.6980      -11.4697  -11.2909        1.7727    2.1751
 6     45.7192   45.8087       -2.1015   -2.1751       -0.0083    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      2.4854    2.3349       28.0832   27.9785       16.3604   16.5356
 2    -66.3235  -66.6555       28.8817   28.8650       16.3208   16.5356
 3    -66.2324  -66.6555       27.9714   27.9785       27.8478   28.1387
 4     -0.7105   -0.8865       68.8463   68.9904        0.3650    0.4012
 5     11.0680   11.6031       19.1061   19.1460      -70.0017  -68.9904
 6    -19.2153  -19.5471      -11.8873  -11.6031        0.4499    0.8865
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.1738   -0.0008   -0.0005    0.0003    3.5765    6.0893
 Low frequencies ---  106.3497  149.1017  211.4380
 Diagonal vibrational polarizability:
        1.3206233       0.8750057       6.3154137
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    106.3496               149.1015               211.4379
 Red. masses --      2.7186                 2.4375                 2.3431
 Frc consts  --      0.0181                 0.0319                 0.0617
 IR Inten    --      0.0226                 0.9817                 0.9824
 RamAct Fr= 1--      1.5881                 2.9077                 1.3511
  Dep-P Fr= 1--      0.7318                 0.7410                 0.5849
  Dep-U Fr= 1--      0.8452                 0.8512                 0.7381
 Alpha2 Fr= 1--      0.0005                 0.0004                 0.0042
 Beta2  Fr= 1--      0.2237                 0.4125                 0.1662
 AlphaG Fr= 1--     -0.0007                 0.0011                -0.0015
 Gamma2 Fr= 1--      0.0622                 0.4196                 1.0773
 Delta2 Fr= 1--      0.0121                 0.3367                 0.2132
 Raman1 Fr= 1--       6.353                 11.631                  5.404
 ROA1   Fr= 1--       6.361                 51.055                110.239
 CID1   Fr= 1--       1.001                  4.390                 20.399
 Raman2 Fr= 1--       2.684                  4.950                  1.994
 ROA2   Fr= 1--       1.396                  7.376                 24.149
 CID2   Fr= 1--       0.520                  1.490                 12.108
 Raman3 Fr= 1--       5.369                  9.901                  3.989
 ROA3   Fr= 1--       6.361                 51.055                110.239
 CID3   Fr= 1--       1.185                  5.157                 27.637
 RC180  Fr= 1--       0.690                  0.702                  0.476
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.10     0.04  -0.01   0.05     0.07  -0.04   0.12
     2   6     0.01  -0.02   0.07     0.04  -0.03   0.15     0.02  -0.04  -0.02
     3   6     0.02  -0.02   0.14     0.02  -0.01   0.04    -0.02  -0.01  -0.12
     4   6     0.01  -0.01   0.05     0.00   0.02  -0.12    -0.00   0.03  -0.07
     5   6     0.00  -0.00  -0.05     0.01   0.02  -0.15     0.01   0.04  -0.08
     6   6    -0.01   0.01  -0.16     0.03   0.01  -0.11     0.06   0.01   0.05
     7   6     0.00  -0.03  -0.02     0.02   0.03  -0.00    -0.00   0.01  -0.06
     8   6     0.04   0.02  -0.18    -0.05  -0.00   0.14     0.04   0.00  -0.06
     9   6    -0.01   0.00   0.01     0.01   0.01  -0.11     0.00   0.05   0.17
    10   1    -0.01   0.00  -0.19     0.06  -0.03   0.13     0.10  -0.07   0.26
    11   1     0.02  -0.02   0.14     0.06  -0.05   0.31     0.02  -0.06  -0.02
    12   1     0.03  -0.03   0.25     0.01  -0.02   0.11    -0.06  -0.02  -0.16
    13   1    -0.02   0.01  -0.27     0.03   0.02  -0.14     0.10   0.02   0.12
    14   1     0.06  -0.21  -0.00     0.17   0.10   0.02     0.04  -0.03  -0.05
    15   6    -0.07   0.05   0.21    -0.10  -0.03   0.04    -0.16  -0.04   0.01
    16   1    -0.05   0.01  -0.35     0.07  -0.00   0.37    -0.03   0.04  -0.17
    17   1     0.24   0.09  -0.21    -0.31  -0.05   0.19     0.21  -0.04  -0.09
    18   1    -0.13   0.07   0.03     0.15  -0.14  -0.18    -0.00   0.35   0.31
    19   1     0.06  -0.05   0.07    -0.06   0.11  -0.23    -0.00  -0.17   0.41
    20   1    -0.14   0.25   0.20    -0.35  -0.15  -0.01    -0.35  -0.07  -0.02
    21   1    -0.06  -0.00   0.26    -0.07   0.01   0.30    -0.13  -0.10   0.21
    22   1    -0.07  -0.01   0.36     0.01   0.01  -0.13    -0.14  -0.01  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    238.2188               264.2644               397.4969
 Red. masses --      1.1483                 2.4856                 2.6060
 Frc consts  --      0.0384                 0.1023                 0.2426
 IR Inten    --      0.0084                 1.6566                 0.3911
 RamAct Fr= 1--      0.1093                 0.5410                 0.9692
  Dep-P Fr= 1--      0.4364                 0.7020                 0.1092
  Dep-U Fr= 1--      0.6076                 0.8249                 0.1969
 Alpha2 Fr= 1--      0.0007                 0.0005                 0.0166
 Beta2  Fr= 1--      0.0111                 0.0744                 0.0318
 AlphaG Fr= 1--      0.0020                -0.0026                 0.0102
 Gamma2 Fr= 1--      0.0253                -0.4983                -0.4223
 Delta2 Fr= 1--      0.0342                -0.0669                -0.1062
 Raman1 Fr= 1--       0.437                  2.164                  3.877
 ROA1   Fr= 1--       3.520                -49.973                -43.936
 CID1   Fr= 1--       8.048                -23.093                -11.333
 Raman2 Fr= 1--       0.133                  0.893                  0.382
 ROA2   Fr= 1--       0.333                -11.424                 -9.285
 CID2   Fr= 1--       2.508                -12.798                -24.320
 Raman3 Fr= 1--       0.266                  1.785                  0.764
 ROA3   Fr= 1--       3.520                -49.973                -43.936
 CID3   Fr= 1--      13.246                -27.994                -57.544
 RC180  Fr= 1--       0.215                  0.650                 -0.606
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02   0.00    -0.06   0.04   0.08    -0.01   0.00   0.02
     2   6    -0.01   0.03  -0.01    -0.02   0.05   0.07    -0.02  -0.01   0.13
     3   6     0.01   0.01   0.00     0.02   0.01  -0.09    -0.04   0.01  -0.14
     4   6     0.00  -0.02   0.01    -0.00  -0.05  -0.12    -0.02   0.01  -0.01
     5   6    -0.01  -0.03   0.00    -0.02  -0.06  -0.13     0.01   0.01   0.09
     6   6    -0.03  -0.01   0.01    -0.08  -0.02  -0.08    -0.03   0.03  -0.16
     7   6    -0.00  -0.02  -0.01     0.02  -0.04  -0.03     0.03  -0.01   0.17
     8   6    -0.00  -0.01  -0.03    -0.03  -0.05   0.05     0.04   0.09  -0.03
     9   6    -0.00  -0.02   0.02    -0.02  -0.03   0.10    -0.04   0.03  -0.00
    10   1    -0.05   0.03   0.01    -0.07   0.05   0.21     0.00  -0.01   0.04
    11   1    -0.01   0.05  -0.02     0.00   0.09   0.19    -0.00  -0.03   0.28
    12   1     0.03   0.02  -0.00     0.08   0.04  -0.09    -0.06   0.02  -0.31
    13   1    -0.05  -0.02   0.02    -0.14  -0.04  -0.08    -0.05   0.04  -0.35
    14   1    -0.00  -0.03  -0.01     0.09  -0.03  -0.02    -0.01  -0.02   0.17
    15   6     0.07   0.04   0.01     0.15   0.10   0.05     0.06  -0.14  -0.01
    16   1    -0.02  -0.02  -0.07    -0.02  -0.01   0.11    -0.08   0.06  -0.28
    17   1     0.04  -0.01  -0.04    -0.05  -0.14   0.05     0.27   0.30  -0.06
    18   1    -0.02   0.02   0.03     0.05   0.18   0.21    -0.07   0.05   0.01
    19   1     0.00  -0.04   0.04    -0.09  -0.19   0.27    -0.07   0.01   0.01
    20   1    -0.34  -0.27  -0.07     0.40   0.35   0.10     0.13  -0.39   0.01
    21   1     0.09   0.41   0.45     0.12   0.11  -0.21     0.06  -0.15  -0.07
    22   1     0.53   0.03  -0.33     0.10  -0.00   0.34     0.01  -0.04  -0.22
                      7                      8                      9
                      A                      A                      A
 Frequencies --    423.4984               458.9573               519.9511
 Red. masses --      2.8403                 2.9757                 3.9080
 Frc consts  --      0.3001                 0.3693                 0.6225
 IR Inten    --      1.2983                 4.9778                 1.0822
 RamAct Fr= 1--      0.2973                 1.4759                 7.2681
  Dep-P Fr= 1--      0.7332                 0.1447                 0.1929
  Dep-U Fr= 1--      0.8460                 0.2527                 0.3234
 Alpha2 Fr= 1--      0.0001                 0.0231                 0.1006
 Beta2  Fr= 1--      0.0419                 0.0622                 0.3918
 AlphaG Fr= 1--      0.0006                 0.0235                -0.0470
 Gamma2 Fr= 1--      0.6377                -0.0055                -1.7534
 Delta2 Fr= 1--      0.0971                 0.0166                -0.3915
 Raman1 Fr= 1--       1.189                  5.904                 29.072
 ROA1   Fr= 1--      64.324                  0.009               -180.855
 CID1   Fr= 1--      54.096                  0.002                 -6.221
 Raman2 Fr= 1--       0.503                  0.746                  4.701
 ROA2   Fr= 1--      14.528                 -0.264                -38.950
 CID2   Fr= 1--      28.883                 -0.354                 -8.285
 Raman3 Fr= 1--       1.006                  1.492                  9.403
 ROA3   Fr= 1--      64.324                  0.009               -180.855
 CID3   Fr= 1--      63.940                  0.006                -19.234
 RC180  Fr= 1--       0.692                 -0.495                 -0.353
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.08   0.05     0.02   0.03   0.14     0.09   0.02  -0.15
     2   6    -0.00  -0.09   0.03     0.03   0.06  -0.04     0.22   0.04   0.14
     3   6    -0.09   0.01  -0.09     0.06   0.01  -0.10     0.11   0.09  -0.09
     4   6    -0.02   0.13   0.10     0.05  -0.12   0.23     0.03  -0.02  -0.09
     5   6    -0.07   0.10   0.08     0.04  -0.09   0.04    -0.03  -0.07   0.19
     6   6     0.02   0.06  -0.10    -0.02  -0.05  -0.12     0.07  -0.12   0.03
     7   6    -0.11  -0.04  -0.03     0.03   0.07  -0.09    -0.16  -0.02   0.02
     8   6     0.04  -0.15   0.00    -0.02   0.05   0.02    -0.14  -0.04  -0.02
     9   6     0.15   0.01  -0.00    -0.05  -0.07   0.01    -0.07   0.02   0.00
    10   1     0.08  -0.12   0.07    -0.02   0.06   0.22    -0.04   0.13  -0.34
    11   1    -0.01  -0.14   0.03     0.02   0.10  -0.18     0.23   0.01   0.28
    12   1    -0.25  -0.03  -0.26     0.12   0.07  -0.41     0.13   0.10  -0.16
    13   1     0.13   0.12  -0.29    -0.13  -0.06  -0.38     0.08  -0.10  -0.08
    14   1    -0.20  -0.07  -0.05     0.02   0.11  -0.09    -0.33  -0.04  -0.02
    15   6     0.01   0.08   0.01    -0.09   0.08  -0.02    -0.08   0.07  -0.03
    16   1     0.12  -0.25   0.07    -0.02   0.13   0.09    -0.08  -0.10   0.05
    17   1    -0.03  -0.24   0.01    -0.08  -0.02   0.02    -0.21  -0.08  -0.01
    18   1     0.19  -0.12  -0.06    -0.20  -0.31  -0.11    -0.05   0.25   0.12
    19   1     0.34   0.11  -0.09    -0.04   0.09  -0.17    -0.14  -0.16   0.20
    20   1     0.05   0.16   0.02    -0.22   0.18  -0.04    -0.06   0.07  -0.03
    21   1    -0.01   0.29  -0.02    -0.06  -0.06   0.11    -0.09   0.17  -0.05
    22   1     0.20  -0.02   0.12    -0.17   0.08   0.03    -0.00   0.04  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    534.3372               593.4048               621.4727
 Red. masses --      4.2641                 3.1132                 3.2123
 Frc consts  --      0.7173                 0.6459                 0.7310
 IR Inten    --      0.5710                 1.4833                 0.8010
 RamAct Fr= 1--      4.6991                 1.3475                 2.3048
  Dep-P Fr= 1--      0.7315                 0.5009                 0.2836
  Dep-U Fr= 1--      0.8450                 0.6675                 0.4419
 Alpha2 Fr= 1--      0.0015                 0.0066                 0.0248
 Beta2  Fr= 1--      0.6618                 0.1499                 0.1698
 AlphaG Fr= 1--      0.0025                 0.0194                -0.0026
 Gamma2 Fr= 1--      0.6908                 0.4612                 0.2531
 Delta2 Fr= 1--      0.2242                 0.1240                -0.1647
 Raman1 Fr= 1--      18.797                  5.390                  9.219
 ROA1   Fr= 1--      73.493                 48.249                 19.028
 CID1   Fr= 1--       3.910                  8.952                  2.064
 Raman2 Fr= 1--       7.941                  1.799                  2.037
 ROA2   Fr= 1--      14.786                 10.078                  7.392
 CID2   Fr= 1--       1.862                  5.602                  3.629
 Raman3 Fr= 1--      15.882                  3.598                  4.074
 ROA3   Fr= 1--      73.493                 48.249                 19.028
 CID3   Fr= 1--       4.627                 13.411                  4.670
 RC180  Fr= 1--       0.690                  0.335                 -0.116
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19  -0.10  -0.07     0.03  -0.06   0.12    -0.12  -0.10   0.06
     2   6    -0.03  -0.06   0.07     0.14   0.01  -0.16     0.04  -0.05  -0.05
     3   6     0.07  -0.12  -0.05     0.08   0.06   0.09     0.13  -0.11   0.02
     4   6     0.09  -0.03  -0.09     0.02   0.03  -0.00     0.14   0.06   0.04
     5   6    -0.04  -0.06   0.05    -0.12  -0.02  -0.12     0.00   0.00   0.04
     6   6    -0.15  -0.07   0.05    -0.02  -0.11  -0.10    -0.11   0.03  -0.02
     7   6    -0.01   0.15   0.04    -0.16   0.00   0.17     0.00  -0.06  -0.04
     8   6     0.20   0.08   0.07    -0.02   0.03   0.02    -0.11   0.06  -0.05
     9   6     0.18   0.00   0.00     0.02   0.02   0.00     0.02   0.25  -0.04
    10   1    -0.23  -0.08  -0.14    -0.05   0.01   0.39    -0.14  -0.09   0.01
    11   1     0.01   0.10   0.19     0.13   0.03  -0.20     0.06   0.16  -0.17
    12   1     0.06  -0.13  -0.02     0.05   0.02   0.27     0.06  -0.13  -0.09
    13   1    -0.17  -0.08   0.08     0.07  -0.09   0.04    -0.07   0.06  -0.16
    14   1    -0.06   0.26   0.02    -0.06   0.03   0.18    -0.01  -0.14  -0.04
    15   6    -0.11   0.17  -0.06    -0.02   0.02  -0.01     0.04  -0.08   0.03
    16   1     0.14  -0.01  -0.12    -0.11  -0.14  -0.29     0.11  -0.00   0.31
    17   1     0.37   0.14   0.04     0.25   0.23  -0.02    -0.49  -0.04   0.01
    18   1     0.29  -0.03  -0.00     0.03  -0.08  -0.04    -0.10   0.45   0.05
    19   1     0.05   0.03  -0.04    -0.02   0.09  -0.08     0.08   0.08   0.16
    20   1    -0.16   0.15  -0.07     0.23  -0.17   0.04     0.02  -0.09   0.02
    21   1    -0.10   0.07  -0.01    -0.06   0.21  -0.24     0.05  -0.10   0.04
    22   1    -0.20   0.21  -0.09     0.07   0.03  -0.11     0.03  -0.08   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    732.6043               751.3681               767.8037
 Red. masses --      3.2203                 2.3853                 1.5851
 Frc consts  --      1.0183                 0.7934                 0.5506
 IR Inten    --      4.0162                18.1070                37.6064
 RamAct Fr= 1--      2.7413                16.7290                 7.7954
  Dep-P Fr= 1--      0.1122                 0.0619                 0.1792
  Dep-U Fr= 1--      0.2018                 0.1166                 0.3039
 Alpha2 Fr= 1--      0.0466                 0.3212                 0.1118
 Beta2  Fr= 1--      0.0922                 0.3252                 0.3949
 AlphaG Fr= 1--      0.0139                -0.0130                 0.0065
 Gamma2 Fr= 1--     -0.6344                -0.5383                -0.1447
 Delta2 Fr= 1--     -0.2645                -0.0953                 0.0430
 Raman1 Fr= 1--      10.965                 66.916                 31.182
 ROA1   Fr= 1--     -69.367                -54.722                -12.515
 CID1   Fr= 1--      -6.326                 -0.818                 -0.401
 Raman2 Fr= 1--       1.106                  3.902                  4.738
 ROA2   Fr= 1--     -13.109                -12.156                 -3.816
 CID2   Fr= 1--     -11.848                 -3.115                 -0.805
 Raman3 Fr= 1--       2.213                  7.805                  9.477
 ROA3   Fr= 1--     -69.367                -54.722                -12.515
 CID3   Fr= 1--     -31.346                 -7.011                 -1.321
 RC180  Fr= 1--      -0.596                 -0.767                 -0.392
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.05  -0.16    -0.00   0.05  -0.05    -0.00  -0.01  -0.03
     2   6     0.10  -0.02   0.10    -0.05  -0.01  -0.04    -0.01   0.02  -0.09
     3   6    -0.00   0.07  -0.14     0.10  -0.15  -0.07    -0.06   0.07  -0.01
     4   6     0.02   0.05   0.20     0.08  -0.05   0.02    -0.03   0.01  -0.00
     5   6    -0.07   0.02  -0.19     0.07   0.05   0.01    -0.01  -0.04   0.11
     6   6    -0.03  -0.06   0.10     0.01   0.19  -0.03    -0.01  -0.09  -0.07
     7   6     0.00  -0.03  -0.05    -0.07  -0.03   0.05     0.05   0.02  -0.03
     8   6    -0.02   0.05   0.01    -0.06  -0.05  -0.00     0.03   0.02  -0.03
     9   6    -0.01   0.05   0.07    -0.05  -0.04   0.02     0.03   0.03  -0.02
    10   1    -0.11  -0.00   0.12     0.20  -0.11   0.43     0.00  -0.00   0.54
    11   1     0.14  -0.01   0.34     0.03   0.08   0.46     0.05  -0.10   0.52
    12   1    -0.08   0.03  -0.11     0.23  -0.15   0.25    -0.04   0.02   0.40
    13   1     0.07  -0.07   0.49     0.07   0.18   0.33    -0.01  -0.12   0.20
    14   1     0.16  -0.02  -0.02    -0.10  -0.04   0.04    -0.08  -0.01  -0.05
    15   6     0.04  -0.07   0.03    -0.05   0.04  -0.02     0.02  -0.01   0.00
    16   1    -0.09   0.11  -0.06    -0.11  -0.09  -0.11     0.12   0.05   0.17
    17   1     0.09   0.02  -0.01     0.04  -0.01  -0.02    -0.16  -0.06   0.01
    18   1    -0.11  -0.31  -0.11    -0.09  -0.15  -0.03    -0.02   0.11   0.02
    19   1     0.09   0.32  -0.21    -0.06   0.03  -0.06     0.08  -0.03   0.06
    20   1     0.06  -0.03   0.03     0.05  -0.01   0.00    -0.10   0.04  -0.02
    21   1     0.04  -0.03   0.01    -0.07   0.16  -0.11     0.05  -0.14   0.11
    22   1     0.09  -0.10   0.07     0.03   0.03  -0.04    -0.06   0.01   0.02
                     16                     17                     18
                      A                      A                      A
 Frequencies --    814.9262               857.7579               881.8694
 Red. masses --      2.1386                 2.8230                 1.3484
 Frc consts  --      0.8368                 1.2238                 0.6178
 IR Inten    --      0.4324                 0.1904                 0.0980
 RamAct Fr= 1--      1.6261                 8.0473                 0.8992
  Dep-P Fr= 1--      0.7192                 0.0854                 0.6832
  Dep-U Fr= 1--      0.8366                 0.1573                 0.8118
 Alpha2 Fr= 1--      0.0009                 0.1460                 0.0011
 Beta2  Fr= 1--      0.2267                 0.2110                 0.1217
 AlphaG Fr= 1--      0.0005                 0.0437                 0.0073
 Gamma2 Fr= 1--      0.9065                 0.6632                -1.0825
 Delta2 Fr= 1--      1.0494                 0.4168                -0.6992
 Raman1 Fr= 1--       6.504                 32.189                  3.597
 ROA1   Fr= 1--     120.605                 77.009               -126.297
 CID1   Fr= 1--      18.542                  2.392                -35.113
 Raman2 Fr= 1--       2.721                  2.532                  1.460
 ROA2   Fr= 1--      13.361                 12.583                -20.388
 CID2   Fr= 1--       4.910                  4.970                -13.964
 Raman3 Fr= 1--       5.442                  5.064                  2.920
 ROA3   Fr= 1--     120.605                 77.009               -126.297
 CID3   Fr= 1--      22.162                 15.208                -43.253
 RC180  Fr= 1--       0.673                 -0.685                  0.624
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.08  -0.05     0.09   0.11   0.01     0.00  -0.01   0.06
     2   6    -0.11   0.02   0.06    -0.15   0.03   0.00    -0.01   0.00  -0.05
     3   6    -0.04  -0.03  -0.01    -0.02  -0.07  -0.02    -0.01   0.01  -0.10
     4   6     0.01  -0.06   0.10     0.02  -0.03  -0.02     0.00  -0.00   0.03
     5   6     0.02  -0.05  -0.11     0.04  -0.09   0.00     0.00   0.00  -0.04
     6   6     0.04  -0.07  -0.00     0.06  -0.10   0.00     0.01  -0.01   0.09
     7   6    -0.02   0.03   0.11    -0.11  -0.09  -0.07     0.01   0.02   0.03
     8   6    -0.00  -0.03  -0.07     0.02   0.07   0.08    -0.03  -0.01  -0.03
     9   6     0.08   0.06  -0.06     0.03   0.21   0.04     0.02  -0.01   0.01
    10   1     0.09   0.05   0.08     0.11   0.09  -0.08    -0.05   0.03  -0.39
    11   1    -0.14  -0.06  -0.06    -0.15  -0.09   0.10     0.04  -0.02   0.32
    12   1     0.02   0.02  -0.22     0.11  -0.03   0.13     0.06  -0.05   0.58
    13   1    -0.06  -0.14   0.24    -0.12  -0.15  -0.15    -0.06   0.03  -0.53
    14   1     0.11  -0.06   0.14    -0.16   0.01  -0.08     0.10  -0.03   0.04
    15   6    -0.04   0.07   0.01    -0.02  -0.06  -0.02    -0.00   0.02   0.01
    16   1     0.21  -0.25   0.16    -0.04  -0.05  -0.14     0.01  -0.03   0.02
    17   1    -0.31   0.05  -0.00     0.28   0.02   0.03    -0.08  -0.00  -0.02
    18   1    -0.14   0.32   0.06     0.22  -0.08  -0.09    -0.07  -0.03  -0.00
    19   1     0.28  -0.15   0.20    -0.11   0.42  -0.21     0.12   0.01   0.00
    20   1     0.13  -0.21   0.04    -0.01   0.19  -0.01     0.05  -0.11   0.02
    21   1    -0.07   0.08  -0.19    -0.04   0.19   0.01    -0.01  -0.01  -0.06
    22   1    -0.10   0.18  -0.22     0.23  -0.25   0.25    -0.06   0.08  -0.10
                     19                     20                     21
                      A                      A                      A
 Frequencies --    918.3026               935.9965               961.9110
 Red. masses --      1.9168                 1.3693                 1.2360
 Frc consts  --      0.9524                 0.7068                 0.6738
 IR Inten    --      0.1240                 0.5917                 0.0175
 RamAct Fr= 1--      1.1982                 0.2393                 0.0278
  Dep-P Fr= 1--      0.7332                 0.5523                 0.5315
  Dep-U Fr= 1--      0.8461                 0.7116                 0.6941
 Alpha2 Fr= 1--      0.0003                 0.0009                 0.0001
 Beta2  Fr= 1--      0.1690                 0.0284                 0.0032
 AlphaG Fr= 1--     -0.0013                 0.0030                -0.0036
 Gamma2 Fr= 1--      0.4745                 0.1686                -0.1204
 Delta2 Fr= 1--      0.0334                 0.0109                 0.0557
 Raman1 Fr= 1--       4.793                  0.957                  0.111
 ROA1   Fr= 1--      46.621                 16.533                 -9.776
 CID1   Fr= 1--       9.728                 17.274                -88.052
 Raman2 Fr= 1--       2.027                  0.341                  0.039
 ROA2   Fr= 1--      11.121                  3.958                 -3.335
 CID2   Fr= 1--       5.485                 11.624                -86.556
 Raman3 Fr= 1--       4.055                  0.681                  0.077
 ROA3   Fr= 1--      46.621                 16.533                 -9.776
 CID3   Fr= 1--      11.497                 24.275               -126.855
 RC180  Fr= 1--       0.692                  0.423                  0.388
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01     0.01  -0.00   0.06    -0.01   0.01  -0.09
     2   6     0.02   0.00  -0.01     0.01  -0.00   0.07     0.01  -0.01   0.09
     3   6    -0.00   0.01  -0.01    -0.01   0.00  -0.09    -0.01   0.00  -0.05
     4   6    -0.01  -0.04   0.03     0.00  -0.00  -0.00    -0.00   0.00  -0.01
     5   6    -0.04   0.04  -0.03    -0.00  -0.00   0.03     0.00  -0.00   0.01
     6   6    -0.00   0.03   0.03    -0.01   0.00  -0.11     0.01  -0.00   0.05
     7   6    -0.07  -0.04  -0.02    -0.01  -0.00  -0.00    -0.00   0.00   0.00
     8   6     0.20   0.11   0.02     0.02   0.02  -0.02    -0.00  -0.00   0.00
     9   6    -0.05  -0.06  -0.05     0.00  -0.00   0.02     0.00  -0.00  -0.01
    10   1     0.02  -0.02  -0.00    -0.03   0.03  -0.34     0.07  -0.04   0.59
    11   1     0.03  -0.01   0.08    -0.05   0.04  -0.42    -0.07   0.04  -0.57
    12   1     0.02   0.01   0.02     0.07  -0.05   0.52     0.04  -0.03   0.37
    13   1     0.05   0.07  -0.12     0.06  -0.05   0.56    -0.04   0.03  -0.39
    14   1    -0.11  -0.11  -0.02    -0.11  -0.08  -0.02    -0.01   0.03  -0.00
    15   6    -0.05  -0.05  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1     0.36   0.13   0.35     0.06   0.07   0.10    -0.01  -0.02  -0.02
    17   1    -0.19   0.05   0.09    -0.09  -0.07  -0.01     0.01   0.02   0.00
    18   1    -0.28   0.15   0.04    -0.06  -0.08  -0.01     0.01   0.02   0.00
    19   1    -0.25  -0.22   0.10     0.02   0.06  -0.04    -0.00  -0.02   0.01
    20   1     0.15   0.04   0.04     0.00  -0.02   0.00    -0.02   0.02  -0.01
    21   1    -0.10   0.34  -0.14    -0.00  -0.01   0.00     0.01  -0.01   0.02
    22   1     0.28  -0.22   0.15    -0.00   0.01  -0.01    -0.00  -0.01   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    969.7726               982.9209              1037.2100
 Red. masses --      1.3951                 2.1838                 2.2217
 Frc consts  --      0.7730                 1.2431                 1.4082
 IR Inten    --      0.6958                 0.7782                 0.6274
 RamAct Fr= 1--      0.1473                 3.1335                18.6286
  Dep-P Fr= 1--      0.7040                 0.2897                 0.1638
  Dep-U Fr= 1--      0.8263                 0.4492                 0.2815
 Alpha2 Fr= 1--      0.0001                 0.0331                 0.2780
 Beta2  Fr= 1--      0.0203                 0.2346                 0.8741
 AlphaG Fr= 1--     -0.0022                 0.0240                -0.0581
 Gamma2 Fr= 1--     -0.0367                -0.8586                 1.2050
 Delta2 Fr= 1--      0.3094                 0.1802                -0.4265
 Raman1 Fr= 1--       0.589                 12.534                 74.514
 ROA1   Fr= 1--       6.373                -76.662                102.033
 CID1   Fr= 1--      10.813                 -6.116                  1.369
 Raman2 Fr= 1--       0.243                  2.815                 10.489
 ROA2   Fr= 1--      -3.356                -22.049                 32.333
 CID2   Fr= 1--     -13.785                 -7.833                  3.082
 Raman3 Fr= 1--       0.487                  5.630                 20.979
 ROA3   Fr= 1--       6.373                -76.662                102.033
 CID3   Fr= 1--      13.086                -13.617                  4.864
 RC180  Fr= 1--       0.653                 -0.102                 -0.437
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.02     0.02   0.01   0.00     0.07   0.10  -0.00
     2   6     0.02  -0.00   0.00    -0.04  -0.00   0.00     0.02  -0.00  -0.01
     3   6    -0.00   0.01  -0.03     0.01  -0.02  -0.01     0.03  -0.12   0.00
     4   6     0.00  -0.00   0.06     0.02  -0.00   0.02    -0.02  -0.01  -0.03
     5   6    -0.00   0.00  -0.02    -0.03   0.01  -0.01    -0.12   0.04  -0.04
     6   6    -0.01   0.02  -0.01     0.01   0.01  -0.00    -0.01  -0.01   0.02
     7   6     0.01   0.02   0.03    -0.06   0.02  -0.01    -0.10   0.13   0.02
     8   6     0.02  -0.08   0.06    -0.14   0.15  -0.00     0.06  -0.00  -0.06
     9   6    -0.05   0.03  -0.09     0.17  -0.14  -0.02    -0.01  -0.02   0.05
    10   1    -0.02   0.00  -0.11     0.06  -0.02  -0.05     0.03   0.14   0.01
    11   1     0.02   0.00   0.01    -0.04  -0.02   0.02     0.04   0.00   0.02
    12   1     0.00  -0.01   0.14     0.04  -0.01   0.01    -0.01  -0.13  -0.10
    13   1     0.02   0.01   0.10     0.04   0.01   0.03    -0.06  -0.01  -0.09
    14   1     0.02   0.44   0.01    -0.13   0.22  -0.04    -0.45   0.17  -0.05
    15   6     0.03  -0.03  -0.06     0.02  -0.08  -0.01     0.14  -0.04   0.04
    16   1     0.02  -0.39  -0.19    -0.26   0.35  -0.05     0.21  -0.13   0.14
    17   1     0.13   0.26   0.06    -0.14   0.34   0.01    -0.13  -0.20  -0.04
    18   1    -0.18   0.28   0.02     0.22   0.09   0.09    -0.14  -0.15  -0.02
    19   1    -0.04  -0.17   0.13     0.39  -0.29   0.17    -0.04   0.08  -0.07
    20   1    -0.20   0.32  -0.09    -0.05   0.15  -0.02    -0.15  -0.06  -0.01
    21   1     0.06  -0.07   0.21     0.03   0.02   0.12     0.20  -0.46   0.29
    22   1     0.04  -0.14   0.23     0.14  -0.21   0.22    -0.18   0.05   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1053.0252              1102.3884              1106.3668
 Red. masses --      2.0945                 1.6201                 2.0587
 Frc consts  --      1.3684                 1.1600                 1.4847
 IR Inten    --      3.8036                 2.6229                 2.2774
 RamAct Fr= 1--     27.0653                 0.6112                 1.4091
  Dep-P Fr= 1--      0.0502                 0.6162                 0.5920
  Dep-U Fr= 1--      0.0956                 0.7625                 0.7437
 Alpha2 Fr= 1--      0.5343                 0.0015                 0.0041
 Beta2  Fr= 1--      0.4315                 0.0777                 0.1747
 AlphaG Fr= 1--      0.0462                -0.0088                 0.0230
 Gamma2 Fr= 1--     -0.8894                 0.3144                 0.3287
 Delta2 Fr= 1--     -0.8632                 0.3394                 0.4505
 Raman1 Fr= 1--     108.261                  2.445                  5.636
 ROA1   Fr= 1--    -113.009                 41.041                 45.966
 CID1   Fr= 1--      -1.044                 16.787                  8.155
 Raman2 Fr= 1--       5.177                  0.932                  2.096
 ROA2   Fr= 1--     -14.440                  4.830                  4.284
 CID2   Fr= 1--      -2.789                  5.183                  2.044
 Raman3 Fr= 1--      10.355                  1.864                  4.192
 ROA3   Fr= 1--    -113.009                 41.041                 45.966
 CID3   Fr= 1--     -10.914                 22.016                 10.965
 RC180  Fr= 1--      -0.809                  0.525                  0.487
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.15   0.00    -0.03  -0.01   0.00     0.02  -0.05  -0.01
     2   6     0.17  -0.07  -0.02     0.02  -0.00  -0.00     0.01  -0.05  -0.01
     3   6    -0.07  -0.09  -0.00    -0.00   0.01   0.03    -0.02   0.13   0.01
     4   6    -0.02   0.00   0.01    -0.03   0.00  -0.09     0.02  -0.07  -0.00
     5   6     0.01  -0.03   0.01     0.06  -0.02  -0.01     0.02  -0.07  -0.05
     6   6    -0.12   0.06   0.01     0.00   0.00   0.01    -0.06   0.11   0.03
     7   6     0.03  -0.05  -0.01     0.04  -0.01   0.10    -0.05  -0.12   0.05
     8   6    -0.01   0.01   0.02     0.00  -0.01  -0.08    -0.00   0.08   0.01
     9   6     0.02   0.00  -0.02    -0.01   0.01   0.11     0.05   0.02   0.02
    10   1    -0.06   0.27   0.03    -0.06   0.02   0.03     0.29  -0.27  -0.06
    11   1     0.15  -0.28  -0.04     0.02   0.03  -0.02    -0.05  -0.39  -0.01
    12   1    -0.50  -0.26   0.06    -0.04   0.01  -0.09     0.17   0.21  -0.03
    13   1    -0.55  -0.10   0.07    -0.06  -0.02  -0.06    -0.19   0.08  -0.01
    14   1     0.14  -0.07   0.01     0.00   0.16   0.08    -0.26  -0.21   0.01
    15   6    -0.03   0.02  -0.01    -0.04  -0.03  -0.07     0.06   0.07  -0.05
    16   1    -0.06   0.07  -0.02     0.14  -0.08   0.12     0.10  -0.11   0.04
    17   1     0.04   0.08   0.02    -0.27   0.15  -0.02    -0.06   0.09   0.02
    18   1     0.07   0.07   0.01    -0.39  -0.29  -0.05    -0.01  -0.03  -0.00
    19   1     0.07  -0.03   0.03     0.46   0.25  -0.10    -0.15   0.04  -0.03
    20   1     0.02   0.02  -0.01    -0.08   0.30  -0.08    -0.27   0.11  -0.11
    21   1    -0.04   0.10  -0.06    -0.05   0.20   0.06     0.11  -0.27   0.17
    22   1     0.01   0.01  -0.03     0.13  -0.18   0.19    -0.25   0.16  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1130.4591              1182.3228              1184.7116
 Red. masses --      2.1900                 1.2158                 1.5869
 Frc consts  --      1.6489                 1.0013                 1.3123
 IR Inten    --      0.2800                 0.3149                 0.2666
 RamAct Fr= 1--      1.2344                 5.1243                 3.1111
  Dep-P Fr= 1--      0.6378                 0.3592                 0.5852
  Dep-U Fr= 1--      0.7788                 0.5285                 0.7384
 Alpha2 Fr= 1--      0.0025                 0.0437                 0.0096
 Beta2  Fr= 1--      0.1602                 0.4514                 0.3828
 AlphaG Fr= 1--      0.0233                -0.0279                 0.0091
 Gamma2 Fr= 1--      0.3272                 0.7287                -0.5037
 Delta2 Fr= 1--     -0.0054                 0.4010                -0.3265
 Raman1 Fr= 1--       4.937                 20.497                 12.444
 ROA1   Fr= 1--      31.241                 82.788                -58.806
 CID1   Fr= 1--       6.327                  4.039                 -4.726
 Raman2 Fr= 1--       1.923                  5.416                  4.594
 ROA2   Fr= 1--       7.896                 14.282                 -9.478
 CID2   Fr= 1--       4.107                  2.637                 -2.063
 Raman3 Fr= 1--       3.845                 10.833                  9.188
 ROA3   Fr= 1--      31.241                 82.788                -58.806
 CID3   Fr= 1--       8.124                  7.642                 -6.400
 RC180  Fr= 1--       0.558                  0.057                  0.477
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.04  -0.00     0.01  -0.05  -0.00     0.08  -0.01  -0.01
     2   6     0.04  -0.04  -0.01     0.02   0.07   0.00    -0.05   0.00   0.01
     3   6    -0.01   0.09   0.01    -0.06   0.00   0.01     0.05   0.01  -0.00
     4   6    -0.02  -0.10  -0.02     0.00  -0.02   0.01     0.06   0.10  -0.00
     5   6     0.06  -0.04   0.03     0.06  -0.01  -0.02    -0.08   0.03   0.01
     6   6    -0.07   0.08   0.00     0.01  -0.00   0.00    -0.07  -0.05   0.00
     7   6    -0.05   0.19  -0.08    -0.03   0.01   0.01     0.04   0.01   0.02
     8   6    -0.03  -0.01  -0.03    -0.02   0.03  -0.01     0.03  -0.06  -0.00
     9   6     0.03   0.03   0.02     0.02  -0.01   0.01    -0.06  -0.01  -0.01
    10   1     0.17  -0.18  -0.03     0.29  -0.28  -0.06     0.53  -0.38  -0.08
    11   1    -0.01  -0.28  -0.03     0.12   0.67   0.04    -0.05   0.01   0.00
    12   1     0.18   0.16   0.00    -0.47  -0.16   0.04     0.17   0.06  -0.01
    13   1    -0.29  -0.01   0.07    -0.16  -0.07   0.01    -0.51  -0.21   0.03
    14   1     0.11   0.38  -0.06    -0.10  -0.01  -0.00     0.08   0.03   0.03
    15   6    -0.02  -0.10   0.10     0.01  -0.01  -0.00    -0.01  -0.01  -0.01
    16   1     0.08  -0.33  -0.07     0.05  -0.13  -0.01    -0.12   0.33   0.04
    17   1     0.00  -0.17  -0.05    -0.03  -0.05  -0.02     0.03  -0.03   0.00
    18   1     0.05  -0.04  -0.01     0.10  -0.01   0.01    -0.12   0.01  -0.01
    19   1    -0.01   0.06  -0.03    -0.15  -0.01  -0.02     0.09  -0.02   0.01
    20   1     0.30  -0.23   0.16    -0.02   0.01  -0.01     0.02   0.05  -0.01
    21   1    -0.07   0.16  -0.14     0.01  -0.01   0.02    -0.02   0.07   0.00
    22   1     0.21  -0.13   0.01    -0.01  -0.01   0.02     0.03  -0.03   0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1194.1833              1217.7573              1242.5518
 Red. masses --      1.5167                 1.5827                 1.9720
 Frc consts  --      1.2743                 1.3828                 1.7939
 IR Inten    --      0.7081                 0.0174                 2.8113
 RamAct Fr= 1--      1.2141                 9.9339                24.5095
  Dep-P Fr= 1--      0.5698                 0.2461                 0.0844
  Dep-U Fr= 1--      0.7259                 0.3949                 0.1556
 Alpha2 Fr= 1--      0.0041                 0.1190                 0.4458
 Beta2  Fr= 1--      0.1469                 0.6539                 0.6356
 AlphaG Fr= 1--      0.0040                -0.0618                -0.0025
 Gamma2 Fr= 1--     -0.3384                 2.2648                -1.5391
 Delta2 Fr= 1--      0.0149                 0.8620                -0.5118
 Raman1 Fr= 1--       4.856                 39.736                 98.038
 ROA1   Fr= 1--     -32.012                245.005               -164.137
 CID1   Fr= 1--      -6.592                  6.166                 -1.674
 Raman2 Fr= 1--       1.763                  7.847                  7.627
 ROA2   Fr= 1--      -8.242                 47.459                -32.845
 CID2   Fr= 1--      -4.676                  6.048                 -4.307
 Raman3 Fr= 1--       3.525                 15.693                 15.253
 ROA3   Fr= 1--     -32.012                245.005               -164.137
 CID3   Fr= 1--      -9.080                 15.612                -10.761
 RC180  Fr= 1--       0.452                 -0.210                 -0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01   0.01     0.01  -0.02  -0.00     0.08   0.00  -0.01
     2   6     0.01  -0.02  -0.00     0.06   0.02  -0.01     0.04   0.05  -0.00
     3   6    -0.01   0.02  -0.00    -0.02  -0.02   0.00    -0.03  -0.06  -0.01
     4   6     0.00  -0.02   0.05    -0.12  -0.11  -0.00    -0.07  -0.11   0.02
     5   6     0.06   0.00  -0.06    -0.01  -0.02  -0.01    -0.16   0.03   0.05
     6   6     0.01   0.00   0.01    -0.01   0.04   0.01    -0.07   0.02   0.00
     7   6     0.03   0.07   0.13    -0.01   0.00  -0.02     0.07  -0.02   0.03
     8   6    -0.00  -0.04  -0.07     0.04  -0.02   0.07    -0.02   0.02  -0.07
     9   6    -0.03   0.02  -0.03    -0.05   0.07  -0.05     0.04   0.04   0.03
    10   1    -0.14   0.08   0.01     0.08  -0.08  -0.01     0.18  -0.08  -0.02
    11   1    -0.00  -0.12   0.00     0.11   0.26   0.01     0.06   0.13   0.01
    12   1     0.03   0.03   0.02     0.24   0.07  -0.02     0.27   0.04  -0.01
    13   1    -0.08  -0.03  -0.02     0.06   0.07  -0.01     0.29   0.15   0.00
    14   1    -0.34  -0.07   0.06    -0.24  -0.12  -0.06     0.57  -0.03   0.14
    15   6    -0.02  -0.04  -0.05     0.01   0.01   0.02    -0.02  -0.00  -0.06
    16   1    -0.08   0.33   0.09    -0.12   0.29   0.01     0.11  -0.14   0.04
    17   1     0.03  -0.46  -0.09     0.19  -0.05   0.04    -0.11  -0.02  -0.05
    18   1     0.53   0.09   0.02     0.01   0.14  -0.01     0.41  -0.02   0.02
    19   1    -0.19  -0.03   0.00     0.73   0.06   0.06    -0.22   0.08  -0.05
    20   1    -0.04   0.20  -0.05     0.01  -0.07   0.02    -0.04   0.17  -0.06
    21   1    -0.02   0.13   0.09     0.01  -0.04  -0.01    -0.00   0.05   0.05
    22   1     0.07  -0.13   0.14    -0.03   0.04  -0.04     0.05  -0.07   0.07
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1297.0190              1305.9485              1324.7066
 Red. masses --      1.3692                 1.6613                 1.3799
 Frc consts  --      1.3571                 1.6694                 1.4267
 IR Inten    --      1.3353                 0.3038                 1.5608
 RamAct Fr= 1--      3.3843                 4.5531                 2.7484
  Dep-P Fr= 1--      0.2761                 0.4217                 0.2632
  Dep-U Fr= 1--      0.4327                 0.5933                 0.4167
 Alpha2 Fr= 1--      0.0372                 0.0311                 0.0314
 Beta2  Fr= 1--      0.2440                 0.4502                 0.1909
 AlphaG Fr= 1--     -0.0507                 0.0207                 0.0275
 Gamma2 Fr= 1--      1.1108                -0.1879                -0.7894
 Delta2 Fr= 1--      0.5629                -0.5508                -0.5126
 Raman1 Fr= 1--      13.537                 18.212                 10.994
 ROA1   Fr= 1--     124.646                -35.667                -92.190
 CID1   Fr= 1--       9.208                 -1.958                 -8.386
 Raman2 Fr= 1--       2.929                  5.402                  2.291
 ROA2   Fr= 1--      22.155                 -0.104                -14.846
 CID2   Fr= 1--       7.565                 -0.019                 -6.481
 Raman3 Fr= 1--       5.857                 10.805                  4.581
 ROA3   Fr= 1--     124.646                -35.667                -92.190
 CID3   Fr= 1--      21.281                 -3.301                -20.123
 RC180  Fr= 1--      -0.135                  0.187                 -0.167
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00    -0.04   0.04   0.01     0.03  -0.03  -0.00
     2   6     0.01  -0.04  -0.00    -0.01  -0.04  -0.00     0.01   0.04   0.00
     3   6     0.02  -0.03  -0.01     0.05   0.03  -0.01    -0.04  -0.01   0.00
     4   6    -0.08   0.07   0.03    -0.02   0.04   0.02     0.03  -0.04   0.00
     5   6     0.04   0.06  -0.00     0.00  -0.11   0.01    -0.01   0.04  -0.02
     6   6     0.04  -0.02  -0.01     0.04   0.03  -0.01    -0.04  -0.01   0.01
     7   6    -0.00  -0.00  -0.03    -0.09  -0.07  -0.01     0.08  -0.01  -0.03
     8   6     0.01   0.05  -0.00     0.08  -0.02  -0.07     0.01  -0.10  -0.02
     9   6    -0.07  -0.05   0.02    -0.09  -0.00   0.02     0.01   0.03   0.04
    10   1    -0.11   0.06   0.01     0.11  -0.08  -0.02    -0.03   0.03   0.00
    11   1     0.04   0.15   0.01     0.01   0.05   0.00    -0.00  -0.05  -0.00
    12   1     0.37   0.10  -0.03    -0.15  -0.05   0.02     0.03   0.02  -0.01
    13   1    -0.41  -0.19   0.03     0.11   0.06   0.01     0.04   0.02  -0.01
    14   1    -0.03  -0.23  -0.02     0.28   0.61   0.03    -0.52   0.15  -0.15
    15   6     0.01  -0.00  -0.00     0.02   0.03   0.03    -0.02   0.01   0.04
    16   1     0.19  -0.42  -0.03     0.06   0.27   0.13    -0.06   0.13   0.02
    17   1    -0.12   0.25   0.03    -0.18   0.15  -0.01    -0.23   0.66   0.06
    18   1     0.45  -0.02   0.05     0.47   0.02   0.05     0.18  -0.05   0.00
    19   1     0.12  -0.03   0.01     0.12   0.06  -0.02    -0.21   0.07  -0.04
    20   1    -0.02   0.02  -0.01    -0.04  -0.11   0.02     0.09  -0.05   0.06
    21   1     0.01  -0.01   0.00     0.01  -0.07  -0.05    -0.04   0.04  -0.10
    22   1    -0.02   0.01  -0.01    -0.08   0.08  -0.05     0.04   0.06  -0.12
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1335.0554              1358.9384              1367.5134
 Red. masses --      1.5676                 3.2740                 1.6180
 Frc consts  --      1.6462                 3.5623                 1.7827
 IR Inten    --      2.2313                 5.1057                 4.5271
 RamAct Fr= 1--      1.9684                10.1973                 7.3254
  Dep-P Fr= 1--      0.7352                 0.0908                 0.5143
  Dep-U Fr= 1--      0.8474                 0.1665                 0.6793
 Alpha2 Fr= 1--      0.0005                 0.1826                 0.0338
 Beta2  Fr= 1--      0.2780                 0.2829                 0.8293
 AlphaG Fr= 1--      0.0094                -0.0063                 0.0497
 Gamma2 Fr= 1--      0.5152                -0.4291                 1.2263
 Delta2 Fr= 1--      0.0093                -0.4213                 0.6141
 Raman1 Fr= 1--       7.874                 40.789                 29.302
 ROA1   Fr= 1--      49.757                -54.673                137.372
 CID1   Fr= 1--       6.319                 -1.340                  4.688
 Raman2 Fr= 1--       3.336                  3.395                  9.952
 ROA2   Fr= 1--      12.291                 -6.927                 24.518
 CID2   Fr= 1--       3.684                 -2.040                  2.464
 Raman3 Fr= 1--       6.672                  6.790                 19.904
 ROA3   Fr= 1--      49.757                -54.673                137.372
 CID3   Fr= 1--       7.457                 -8.052                  6.902
 RC180  Fr= 1--       0.695                 -0.667                  0.359
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06  -0.01     0.09  -0.12  -0.02     0.03  -0.01  -0.00
     2   6     0.02   0.01  -0.00    -0.01   0.17   0.01    -0.00   0.02   0.00
     3   6    -0.07  -0.03   0.01    -0.11  -0.02   0.01    -0.02  -0.02   0.00
     4   6    -0.05  -0.02  -0.00     0.21  -0.07  -0.03     0.01   0.02   0.00
     5   6     0.07   0.09   0.01     0.10   0.14   0.01    -0.02   0.04  -0.01
     6   6     0.02  -0.00  -0.00    -0.13  -0.06   0.01    -0.03  -0.02   0.00
     7   6    -0.09  -0.06   0.01    -0.13   0.00  -0.01     0.11  -0.14   0.02
     8   6     0.01  -0.04  -0.02     0.03   0.02   0.01    -0.04   0.11  -0.01
     9   6     0.09   0.02  -0.00    -0.15  -0.03   0.00    -0.02  -0.03  -0.01
    10   1    -0.26   0.17   0.04    -0.18   0.10   0.03    -0.01   0.02   0.00
    11   1     0.06   0.19   0.01    -0.12  -0.40  -0.02    -0.00  -0.00  -0.00
    12   1     0.36   0.13  -0.03    -0.18  -0.05   0.02     0.09   0.02  -0.01
    13   1    -0.36  -0.15   0.04     0.11   0.03  -0.00     0.01  -0.00  -0.01
    14   1     0.26   0.34   0.06     0.32  -0.04   0.08    -0.35   0.63  -0.11
    15   6     0.03   0.01   0.01     0.04   0.01  -0.02    -0.04   0.04   0.04
    16   1    -0.12   0.35   0.04     0.04  -0.04  -0.03     0.13  -0.26   0.00
    17   1    -0.01  -0.08  -0.02    -0.06  -0.03   0.02     0.16  -0.47  -0.08
    18   1    -0.26   0.02  -0.02     0.34  -0.04   0.01     0.00   0.04   0.02
    19   1    -0.28   0.00  -0.03     0.49   0.01   0.04     0.11  -0.01  -0.01
    20   1    -0.11  -0.03  -0.02    -0.10  -0.06  -0.04     0.07  -0.09   0.05
    21   1     0.02  -0.02  -0.02     0.06  -0.11   0.06    -0.06   0.00  -0.13
    22   1    -0.12   0.06  -0.00    -0.07  -0.01   0.09     0.06   0.06  -0.10
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1413.0918              1483.8545              1491.6230
 Red. masses --      1.2311                 1.1182                 1.4232
 Frc consts  --      1.4484                 1.4506                 1.8656
 IR Inten    --      3.6476                 2.9737                 5.5882
 RamAct Fr= 1--      0.4150                11.1897                 3.6642
  Dep-P Fr= 1--      0.7500                 0.5777                 0.7384
  Dep-U Fr= 1--      0.8571                 0.7324                 0.8495
 Alpha2 Fr= 1--      0.0000                 0.0362                 0.0007
 Beta2  Fr= 1--      0.0593                 1.3658                 0.5188
 AlphaG Fr= 1--     -0.0000                -0.0121                -0.0040
 Gamma2 Fr= 1--      0.1099                -1.7650                -3.0265
 Delta2 Fr= 1--     -0.0541                -1.2409                 1.2602
 Raman1 Fr= 1--       1.660                 44.759                 14.657
 ROA1   Fr= 1--       8.820               -209.148               -250.214
 CID1   Fr= 1--       5.314                 -4.673                -17.072
 Raman2 Fr= 1--       0.711                 16.390                  6.226
 ROA2   Fr= 1--       3.071                -32.433                -82.717
 CID2   Fr= 1--       4.318                 -1.979                -13.286
 Raman3 Fr= 1--       1.423                 32.780                 12.451
 ROA3   Fr= 1--       8.820               -209.148               -250.214
 CID3   Fr= 1--       6.200                 -6.380                -20.095
 RC180  Fr= 1--       0.714                  0.465                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.01   0.00     0.09  -0.03  -0.01
     2   6    -0.00   0.01   0.00     0.01   0.01  -0.00    -0.05  -0.08  -0.00
     3   6     0.01  -0.00  -0.00    -0.02  -0.02   0.00    -0.03   0.05   0.01
     4   6     0.00  -0.00  -0.00    -0.01   0.02   0.00     0.07  -0.00  -0.01
     5   6    -0.01   0.00   0.00     0.02  -0.02  -0.00    -0.04  -0.05   0.00
     6   6    -0.00  -0.00  -0.00    -0.02  -0.01   0.00    -0.01   0.05   0.01
     7   6    -0.00   0.01  -0.01     0.00   0.00   0.00    -0.01  -0.00  -0.01
     8   6    -0.00   0.01   0.00     0.04   0.01   0.02     0.01   0.01   0.01
     9   6    -0.00  -0.00  -0.00     0.01  -0.07   0.01    -0.02   0.00  -0.00
    10   1     0.02  -0.02  -0.00     0.05  -0.04  -0.01    -0.25   0.26   0.05
    11   1    -0.01  -0.03  -0.00     0.01  -0.02  -0.00     0.01   0.34   0.02
    12   1    -0.03  -0.01   0.00     0.07   0.02  -0.01     0.01   0.07   0.00
    13   1     0.04   0.01  -0.00     0.09   0.03  -0.01    -0.06   0.05   0.01
    14   1    -0.00  -0.00  -0.01    -0.02  -0.02  -0.00     0.02   0.01  -0.00
    15   6     0.07  -0.10   0.06     0.00  -0.01  -0.00    -0.03  -0.04  -0.01
    16   1     0.03  -0.04   0.02    -0.16  -0.02  -0.35    -0.03   0.01  -0.06
    17   1     0.04  -0.03  -0.00    -0.36  -0.12   0.08    -0.06  -0.04   0.02
    18   1    -0.00   0.00  -0.00    -0.06   0.51   0.26     0.02  -0.04  -0.02
    19   1     0.03  -0.01   0.01    -0.02   0.36  -0.44     0.06  -0.02   0.03
    20   1    -0.35   0.45  -0.03     0.05   0.00   0.01     0.49   0.31   0.09
    21   1    -0.05   0.47  -0.32     0.00   0.06   0.06     0.03   0.04   0.45
    22   1    -0.36   0.22  -0.36    -0.06   0.01  -0.00    -0.08   0.14  -0.34
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1499.0883              1499.5237              1503.0984
 Red. masses --      1.1196                 1.3717                 1.1064
 Frc consts  --      1.4825                 1.8172                 1.4727
 IR Inten    --      2.6461                 2.2977                 9.0771
 RamAct Fr= 1--      6.2986                 4.6859                 5.0853
  Dep-P Fr= 1--      0.2347                 0.7096                 0.7448
  Dep-U Fr= 1--      0.3801                 0.8302                 0.8537
 Alpha2 Fr= 1--      0.0779                 0.0033                 0.0004
 Beta2  Fr= 1--      0.3990                 0.6483                 0.7236
 AlphaG Fr= 1--     -0.0731                 0.0027                -0.0009
 Gamma2 Fr= 1--      0.0504                 4.4203                -1.5550
 Delta2 Fr= 1--      0.7198                 0.1205                -0.6376
 Raman1 Fr= 1--      25.195                 18.744                 20.341
 ROA1   Fr= 1--      27.877                428.206               -169.685
 CID1   Fr= 1--       1.106                 22.846                 -8.342
 Raman2 Fr= 1--       4.788                  7.780                  8.683
 ROA2   Fr= 1--      -4.548                105.124                -32.220
 CID2   Fr= 1--      -0.950                 13.512                 -3.711
 Raman3 Fr= 1--       9.577                 15.560                 17.366
 ROA3   Fr= 1--      27.877                428.206               -169.685
 CID3   Fr= 1--       2.911                 27.519                 -9.771
 RC180  Fr= 1--      -0.240                  0.660                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.01  -0.00    -0.08   0.01   0.01    -0.03   0.01   0.00
     2   6    -0.02  -0.02   0.00     0.04   0.08   0.00     0.02   0.02  -0.00
     3   6    -0.01   0.01   0.00     0.03  -0.04  -0.01    -0.00  -0.02  -0.00
     4   6     0.03   0.00  -0.00    -0.06  -0.01   0.01    -0.02   0.01   0.00
     5   6    -0.00  -0.02  -0.00     0.03   0.05   0.00     0.03   0.01  -0.00
     6   6    -0.01   0.02   0.00     0.03  -0.04  -0.01    -0.00  -0.02  -0.00
     7   6    -0.02   0.02   0.01    -0.03  -0.03  -0.01    -0.02  -0.00   0.01
     8   6    -0.05  -0.02  -0.02    -0.03  -0.00  -0.01     0.04   0.01   0.01
     9   6    -0.01  -0.04   0.01     0.02  -0.01  -0.00     0.01   0.02  -0.00
    10   1    -0.08   0.08   0.02     0.17  -0.21  -0.03     0.09  -0.08  -0.02
    11   1     0.00   0.10   0.01    -0.03  -0.33  -0.02     0.01  -0.09  -0.01
    12   1     0.00   0.02   0.00    -0.06  -0.08   0.00     0.03  -0.01  -0.00
    13   1    -0.03   0.01   0.00    -0.01  -0.06  -0.00     0.03  -0.01  -0.01
    14   1     0.04  -0.06   0.03     0.03   0.05  -0.00     0.04  -0.01   0.03
    15   6    -0.01   0.01   0.02    -0.02  -0.02  -0.02    -0.03   0.00   0.03
    16   1     0.16   0.03   0.38     0.12   0.02   0.26    -0.13   0.02  -0.27
    17   1     0.38   0.15  -0.08     0.27   0.10  -0.05    -0.28  -0.13   0.06
    18   1    -0.02   0.30   0.15    -0.02   0.11   0.05    -0.00  -0.16  -0.08
    19   1     0.02   0.22  -0.27    -0.02   0.06  -0.09    -0.02  -0.12   0.15
    20   1    -0.15   0.20  -0.02     0.46   0.22   0.08    -0.00   0.40   0.02
    21   1    -0.01  -0.32  -0.24     0.04   0.04   0.46     0.00  -0.42  -0.14
    22   1     0.36  -0.04  -0.16    -0.12   0.12  -0.26     0.45   0.03  -0.39
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1515.4996              1628.0046              1650.5991
 Red. masses --      2.3931                 6.2034                 6.3481
 Frc consts  --      3.2383                 9.6871                10.1900
 IR Inten    --     16.8126                 0.4329                 1.1794
 RamAct Fr= 1--      1.3196                12.6188                22.0594
  Dep-P Fr= 1--      0.4331                 0.6615                 0.7437
  Dep-U Fr= 1--      0.6044                 0.7962                 0.8530
 Alpha2 Fr= 1--      0.0086                 0.0199                 0.0023
 Beta2  Fr= 1--      0.1329                 1.6746                 3.1362
 AlphaG Fr= 1--     -0.0108                -0.0232                 0.0099
 Gamma2 Fr= 1--      0.1147                 0.1714                -0.0055
 Delta2 Fr= 1--      0.0352                -0.5552                 0.0077
 Raman1 Fr= 1--       5.279                 50.475                 88.237
 ROA1   Fr= 1--      12.140                 -1.311                 -0.279
 CID1   Fr= 1--       2.300                 -0.026                 -0.003
 Raman2 Fr= 1--       1.595                 20.095                 37.635
 ROA2   Fr= 1--       2.471                  8.555                 -0.193
 CID2   Fr= 1--       1.549                  0.426                 -0.005
 Raman3 Fr= 1--       3.190                 40.190                 75.270
 ROA3   Fr= 1--      12.140                 -1.311                 -0.279
 CID3   Fr= 1--       3.805                 -0.033                 -0.004
 RC180  Fr= 1--       0.209                  0.592                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.07   0.00     0.18  -0.28  -0.04     0.20  -0.01  -0.02
     2   6     0.07  -0.03  -0.01    -0.03   0.34   0.03    -0.14  -0.12   0.01
     3   6    -0.15  -0.07   0.01     0.09  -0.14  -0.02     0.33   0.11  -0.03
     4   6     0.02   0.17   0.01    -0.19   0.23   0.04    -0.29  -0.03   0.03
     5   6     0.13  -0.10  -0.02    -0.00  -0.31  -0.02     0.23   0.16  -0.01
     6   6    -0.15  -0.06   0.01    -0.01   0.17   0.01    -0.32  -0.13   0.03
     7   6    -0.03   0.03   0.00     0.01   0.03   0.00    -0.03  -0.02   0.00
     8   6    -0.02  -0.01  -0.01     0.02   0.00  -0.00     0.00  -0.01  -0.00
     9   6    -0.00  -0.02  -0.01     0.03  -0.01  -0.01     0.04   0.01  -0.00
    10   1     0.24  -0.09  -0.03    -0.39   0.18   0.06    -0.05   0.21   0.02
    11   1     0.12   0.17  -0.00    -0.17  -0.42  -0.01    -0.11   0.18   0.02
    12   1     0.50   0.19  -0.04    -0.02  -0.20  -0.01    -0.41  -0.18   0.03
    13   1     0.52   0.19  -0.04    -0.18   0.12   0.03     0.43   0.15  -0.03
    14   1    -0.04  -0.04  -0.00    -0.04  -0.04  -0.01    -0.02   0.02  -0.00
    15   6    -0.00  -0.01  -0.01    -0.01  -0.00   0.00     0.00   0.01  -0.00
    16   1     0.08   0.01   0.17     0.02   0.01   0.00    -0.01   0.03   0.00
    17   1     0.17   0.07  -0.03    -0.01  -0.00   0.00    -0.01   0.03   0.00
    18   1    -0.06  -0.14  -0.06    -0.05  -0.07  -0.04    -0.00   0.02   0.01
    19   1    -0.11  -0.14   0.11    -0.14  -0.09   0.07    -0.08  -0.00  -0.01
    20   1     0.07  -0.02   0.01    -0.01  -0.02   0.00     0.03   0.01   0.00
    21   1     0.00   0.06   0.09    -0.01   0.02  -0.04     0.01  -0.04   0.05
    22   1    -0.07   0.01   0.02     0.03  -0.02   0.03    -0.01   0.02  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   2975.1996              3010.4162              3027.1549
 Red. masses --      1.0817                 1.0712                 1.0386
 Frc consts  --      5.6412                 5.7196                 5.6073
 IR Inten    --     22.0783                29.9334                13.4248
 RamAct Fr= 1--    172.7649               188.4708               111.2624
  Dep-P Fr= 1--      0.1772                 0.1566                 0.0327
  Dep-U Fr= 1--      0.3011                 0.2708                 0.0634
 Alpha2 Fr= 1--      2.4906                 2.8649                 2.2897
 Beta2  Fr= 1--      8.6695                 8.5072                 1.1750
 AlphaG Fr= 1--      0.0864                -0.1210                -0.0452
 Gamma2 Fr= 1--      5.3671                -5.9657                 3.9361
 Delta2 Fr= 1--      1.2711                 5.5157                 3.6735
 Raman1 Fr= 1--     691.060                753.883                445.049
 ROA1   Fr= 1--     555.916               -396.201                495.421
 CID1   Fr= 1--       0.804                 -0.526                  1.113
 Raman2 Fr= 1--     104.034                102.086                 14.100
 ROA2   Fr= 1--     118.641               -187.301                 65.079
 CID2   Fr= 1--       1.140                 -1.835                  4.615
 Raman3 Fr= 1--     208.069                204.173                 28.200
 ROA3   Fr= 1--     555.916               -396.201                495.421
 CID3   Fr= 1--       2.672                 -1.941                 17.568
 RC180  Fr= 1--      -0.398                 -0.458                 -0.873
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6     0.02  -0.00  -0.08    -0.00   0.00   0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00   0.01    -0.00  -0.00   0.01     0.01   0.00   0.02
     9   6    -0.00   0.00  -0.00     0.00   0.05  -0.06     0.00  -0.01   0.00
    10   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    11   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.00   0.00   0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    13   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    14   1    -0.19   0.05   0.96     0.01  -0.00  -0.04     0.00   0.00  -0.02
    15   6    -0.00   0.00   0.01    -0.00   0.00  -0.00    -0.02   0.03  -0.03
    16   1     0.04   0.01  -0.02     0.04   0.02  -0.02    -0.11  -0.05   0.07
    17   1    -0.02   0.01  -0.11    -0.03   0.01  -0.14    -0.05   0.02  -0.32
    18   1    -0.00  -0.01   0.02    -0.04  -0.39   0.87     0.00   0.02  -0.06
    19   1    -0.00   0.00   0.00     0.02  -0.14  -0.16    -0.00   0.05   0.05
    20   1     0.02  -0.00  -0.08    -0.01   0.00   0.03    -0.12   0.01   0.57
    21   1     0.03   0.01  -0.00     0.02   0.00  -0.00     0.53   0.06  -0.07
    22   1    -0.01  -0.03  -0.01    -0.00  -0.01  -0.01    -0.14  -0.42  -0.19
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3032.3421              3072.4018              3087.7679
 Red. masses --      1.0614                 1.0903                 1.1012
 Frc consts  --      5.7504                 6.0640                 6.1862
 IR Inten    --     48.5007                32.5621                 3.5992
 RamAct Fr= 1--    134.5529               144.2110                47.4485
  Dep-P Fr= 1--      0.0789                 0.2117                 0.6075
  Dep-U Fr= 1--      0.1463                 0.3494                 0.7559
 Alpha2 Fr= 1--      2.4797                 1.8983                 0.1246
 Beta2  Fr= 1--      3.2811                 8.3979                 5.9774
 AlphaG Fr= 1--      0.1778                -1.7653                 0.0574
 Gamma2 Fr= 1--     -5.6949               -12.6547               -44.5565
 Delta2 Fr= 1--     -8.2415                -7.7298               -31.4699
 Raman1 Fr= 1--     538.212                576.844                189.794
 ROA1   Fr= 1--    -810.439              -1462.200              -5284.460
 CID1   Fr= 1--      -1.506                 -2.535                -27.843
 Raman2 Fr= 1--      39.374                100.775                 71.729
 ROA2   Fr= 1--     -70.746               -241.874               -817.596
 CID2   Fr= 1--      -1.797                 -2.400                -11.398
 Raman3 Fr= 1--      78.747                201.550                143.459
 ROA3   Fr= 1--    -810.439              -1462.200              -5284.460
 CID3   Fr= 1--     -10.292                 -7.255                -36.836
 RC180  Fr= 1--      -0.707                 -0.301                  0.512
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6    -0.03  -0.01  -0.05    -0.02  -0.01   0.00    -0.04  -0.02   0.05
     9   6    -0.00   0.01   0.01     0.01  -0.05  -0.07    -0.00   0.00   0.02
    10   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   1    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00   0.00   0.00
    13   1    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.02   0.00   0.07     0.00  -0.00  -0.01    -0.00  -0.00   0.00
    15   6    -0.01   0.01  -0.01     0.00   0.00  -0.00     0.04  -0.00  -0.05
    16   1     0.27   0.12  -0.17     0.20   0.08  -0.11     0.54   0.23  -0.29
    17   1     0.14  -0.05   0.82     0.01  -0.01   0.09    -0.05   0.01  -0.25
    18   1    -0.00  -0.02   0.06    -0.01  -0.10   0.17     0.00   0.05  -0.09
    19   1     0.01  -0.13  -0.13    -0.08   0.69   0.63     0.01  -0.10  -0.09
    20   1    -0.04   0.00   0.20    -0.00  -0.00   0.02    -0.09   0.01   0.49
    21   1     0.21   0.02  -0.03    -0.00  -0.00   0.00    -0.47  -0.05   0.05
    22   1    -0.06  -0.20  -0.08    -0.00  -0.01  -0.00     0.03   0.06   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3089.9642              3093.2323              3160.9321
 Red. masses --      1.1009                 1.1013                 1.0856
 Frc consts  --      6.1929                 6.2082                 6.3910
 IR Inten    --     54.3604                47.0453                 5.9444
 RamAct Fr= 1--    141.7784                82.6629                30.5706
  Dep-P Fr= 1--      0.5852                 0.4467                 0.6081
  Dep-U Fr= 1--      0.7383                 0.6175                 0.7563
 Alpha2 Fr= 1--      0.4368                 0.5136                 0.0799
 Beta2  Fr= 1--     17.4459                 8.5075                 3.8534
 AlphaG Fr= 1--      0.5995                -0.6553                -0.0295
 Gamma2 Fr= 1--     11.0429                43.8976                -0.3361
 Delta2 Fr= 1--      0.9894                38.4810                 0.5606
 Raman1 Fr= 1--     567.114                330.652                122.282
 ROA1   Fr= 1--    1091.782               5445.560                -14.331
 CID1   Fr= 1--       1.925                 16.469                 -0.117
 Raman2 Fr= 1--     209.351                102.090                 46.241
 ROA2   Fr= 1--     257.115                745.693                -12.552
 CID2   Fr= 1--       1.228                  7.304                 -0.271
 Raman3 Fr= 1--     418.703                204.181                 92.481
 ROA3   Fr= 1--    1091.782               5445.560                -14.331
 CID3   Fr= 1--       2.608                 26.670                 -0.155
 RC180  Fr= 1--       0.477                  0.235                  0.513
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02   0.03  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.04   0.01   0.01
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.05  -0.01
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.03  -0.00
     7   6    -0.00  -0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
     8   6    -0.03  -0.01   0.03     0.03   0.01  -0.03     0.00   0.00  -0.00
     9   6    -0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00  -0.00
    10   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.26  -0.31   0.01
    11   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.49  -0.08  -0.06
    12   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.23   0.62   0.08
    13   1     0.01  -0.02  -0.00     0.01  -0.02  -0.00    -0.12   0.33   0.04
    14   1     0.01  -0.00  -0.04    -0.02   0.01   0.11    -0.00   0.00   0.00
    15   6    -0.07  -0.05  -0.00     0.00  -0.04  -0.07    -0.00  -0.00  -0.00
    16   1     0.34   0.14  -0.18    -0.38  -0.16   0.20    -0.00  -0.00   0.00
    17   1    -0.03   0.01  -0.15     0.04  -0.01   0.21     0.00   0.00   0.00
    18   1     0.00   0.03  -0.05    -0.00  -0.03   0.06     0.00   0.00  -0.00
    19   1     0.01  -0.05  -0.05    -0.01   0.06   0.05     0.00   0.01   0.01
    20   1     0.00  -0.01  -0.10    -0.12  -0.01   0.57    -0.00  -0.00   0.00
    21   1     0.65   0.06  -0.09    -0.09  -0.02  -0.00     0.00   0.00  -0.00
    22   1     0.16   0.53   0.23     0.17   0.53   0.21     0.00   0.01   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3167.0193              3178.1278              3191.0599
 Red. masses --      1.0880                 1.0920                 1.0966
 Frc consts  --      6.4296                 6.4987                 6.5791
 IR Inten    --      2.1158                28.2482                22.0176
 RamAct Fr= 1--    131.7702                57.7832               286.8171
  Dep-P Fr= 1--      0.5509                 0.7466                 0.0996
  Dep-U Fr= 1--      0.7104                 0.8549                 0.1812
 Alpha2 Fr= 1--      0.5012                 0.0033                 5.0264
 Beta2  Fr= 1--     15.6025                 8.2333                 8.6612
 AlphaG Fr= 1--      0.0076                -0.0134                 0.2685
 Gamma2 Fr= 1--      0.4203                 0.0709                 2.1809
 Delta2 Fr= 1--      0.1560                -2.6660                 2.3028
 Raman1 Fr= 1--     527.081                231.133               1147.268
 ROA1   Fr= 1--      45.342                -78.504                283.058
 CID1   Fr= 1--       0.086                 -0.340                  0.247
 Raman2 Fr= 1--     187.230                 98.800                103.934
 ROA2   Fr= 1--       8.840                 23.031                 33.919
 CID2   Fr= 1--       0.047                  0.233                  0.326
 Raman3 Fr= 1--     374.461                197.599                207.869
 ROA3   Fr= 1--      45.342                -78.504                283.058
 CID3   Fr= 1--       0.121                 -0.397                  1.362
 RC180  Fr= 1--       0.421                  0.710                 -0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.00     0.03   0.03  -0.00    -0.04  -0.05   0.00
     2   6     0.01  -0.00  -0.00    -0.05   0.01   0.01    -0.06   0.01   0.01
     3   6    -0.02   0.05   0.01    -0.01   0.03   0.00    -0.01   0.02   0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.02  -0.06  -0.01    -0.02   0.04   0.01     0.01  -0.02  -0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     9   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   1    -0.28  -0.34   0.01    -0.30  -0.35   0.01     0.42   0.50  -0.01
    11   1    -0.09   0.02   0.01     0.55  -0.09  -0.07     0.63  -0.10  -0.08
    12   1     0.20  -0.52  -0.06     0.14  -0.38  -0.05     0.08  -0.23  -0.03
    13   1    -0.23   0.65   0.07     0.18  -0.51  -0.06    -0.10   0.28   0.03
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    15   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   1    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   1     0.01   0.02   0.01    -0.00  -0.01  -0.01     0.00   0.01   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Molecular mass:   132.09390 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   754.660911465.567862134.52425
           X            0.99990  -0.01400   0.00153
           Y            0.01401   0.99990  -0.00236
           Z           -0.00150   0.00238   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11477     0.05910     0.04058
 Rotational constants (GHZ):           2.39146     1.23143     0.84550
 Zero-point vibrational energy     504249.2 (Joules/Mol)
                                  120.51845 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    153.01   214.52   304.21   342.74   380.22
          (Kelvin)            571.91   609.32   660.34   748.09   768.79
                              853.78   894.16  1054.05  1081.05  1104.70
                             1172.50  1234.12  1268.81  1321.23  1346.69
                             1383.98  1395.29  1414.20  1492.31  1515.07
                             1586.09  1591.81  1626.48  1701.10  1704.54
                             1718.16  1752.08  1787.75  1866.12  1878.97
                             1905.96  1920.85  1955.21  1967.55  2033.12
                             2134.94  2146.11  2156.85  2157.48  2162.62
                             2180.47  2342.34  2374.84  4280.65  4331.32
                             4355.40  4362.86  4420.50  4442.61  4445.77
                             4450.47  4547.88  4556.63  4572.62  4591.22
 
 Zero-point correction=                           0.192058 (Hartree/Particle)
 Thermal correction to Energy=                    0.200364
 Thermal correction to Enthalpy=                  0.201308
 Thermal correction to Gibbs Free Energy=         0.159215
 Sum of electronic and zero-point Energies=           -388.292300
 Sum of electronic and thermal Energies=              -388.283994
 Sum of electronic and thermal Enthalpies=            -388.283050
 Sum of electronic and thermal Free Energies=         -388.325143
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  125.730             33.807             88.593
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.548
 Rotational               0.889              2.981             29.247
 Vibrational            123.953             27.846             18.798
 Vibration     1          0.605              1.944              3.334
 Vibration     2          0.618              1.904              2.684
 Vibration     3          0.643              1.823              2.031
 Vibration     4          0.656              1.782              1.816
 Vibration     5          0.671              1.738              1.633
 Vibration     6          0.764              1.475              0.972
 Vibration     7          0.786              1.419              0.880
 Vibration     8          0.817              1.341              0.769
 Vibration     9          0.875              1.206              0.610
 Vibration    10          0.889              1.174              0.578
 Vibration    11          0.951              1.046              0.461
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.583844D-73        -73.233703       -168.626833
 Total V=0       0.127920D+16         15.106939         34.785013
 Vib (Bot)       0.177887D-86        -86.749856       -199.748926
 Vib (Bot)    1  0.192730D+01          0.284950          0.656122
 Vib (Bot)    2  0.136029D+01          0.133631          0.307697
 Vib (Bot)    3  0.938816D+00         -0.027420         -0.063136
 Vib (Bot)    4  0.823777D+00         -0.084190         -0.193855
 Vib (Bot)    5  0.733437D+00         -0.134637         -0.310013
 Vib (Bot)    6  0.449216D+00         -0.347545         -0.800251
 Vib (Bot)    7  0.413505D+00         -0.383520         -0.883086
 Vib (Bot)    8  0.370916D+00         -0.430725         -0.991781
 Vib (Bot)    9  0.310454D+00         -0.508003         -1.169720
 Vib (Bot)   10  0.298092D+00         -0.525649         -1.210352
 Vib (Bot)   11  0.253337D+00         -0.596301         -1.373035
 Vib (V=0)       0.389750D+02          1.590786          3.662920
 Vib (V=0)    1  0.249110D+01          0.396392          0.912726
 Vib (V=0)    2  0.194927D+01          0.289872          0.667455
 Vib (V=0)    3  0.156366D+01          0.194143          0.447030
 Vib (V=0)    4  0.146364D+01          0.165435          0.380929
 Vib (V=0)    5  0.138765D+01          0.142281          0.327615
 Vib (V=0)    6  0.117216D+01          0.068986          0.158846
 Vib (V=0)    7  0.114883D+01          0.060257          0.138748
 Vib (V=0)    8  0.112256D+01          0.050209          0.115610
 Vib (V=0)    9  0.108854D+01          0.036845          0.084839
 Vib (V=0)   10  0.108212D+01          0.034274          0.078918
 Vib (V=0)   11  0.106052D+01          0.025518          0.058757
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.596730D+08          7.775778         17.904391
 Rotational      0.550016D+06          5.740375         13.217702
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   333333333332                                                   11111111111111111111 11111                                         
   111100000009                                                   66555444433333222111 111009999988 8777    65 55 4 43    222  11    
   976699873217                                                   52100998165320941988 300538763185 1653    29 32 5 29    631  40    
   187130822705                                                   18530924389556738452 062373026828 5813    13 40 9 37    481  96    
 
   XXXXXXXXXXXX                                                   XXXXXXXXXXXXXXXX XXX XXXXXXX XXXX XXXX    XX XX X XX    X X  X     
   XX XXX XXXXX                                                     XX  X  XX                        XX           X                  
   XX  XX XXXXX                                                     XX                               XX                              
   XX  XX XXXXX                                                     X                                XX                              
   XX  XX XXXXX                                                     X                                XX                              
   XX  XX XX XX                                                     X                                XX                              
   XX  XX XX XX                                                                                      XX                              
   XX  XX XX XX                                                                                      X                               
    X  XX XX X                                                                                       X                               
    X  XX XX X                                                                                       X                               
       XX XX X                                                                                       X                               
       XX XX                                                                                         X                               
       XX  X                                                                                         X                               
       XX  X                                                                                         X                               
       XX  X                                                                                                                         
       XX  X                                                                                                                         
       XX  X                                                                                                                         
        X  X                                                                                                                         
        X                                                                                                                            
        X                                                                                                                            
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000002085   -0.000006530    0.000001263
      2        6           0.000006560   -0.000001017   -0.000006946
      3        6           0.000000078   -0.000004377    0.000003077
      4        6           0.000002773    0.000008929    0.000000518
      5        6          -0.000015820    0.000013508    0.000003209
      6        6          -0.000001967    0.000001316   -0.000001321
      7        6           0.000009431   -0.000006724    0.000002191
      8        6           0.000000702    0.000001906    0.000003993
      9        6          -0.000001293   -0.000007184   -0.000000782
     10        1          -0.000000442   -0.000000205    0.000000005
     11        1           0.000000225   -0.000000429    0.000000023
     12        1           0.000000010    0.000000447   -0.000000414
     13        1           0.000001297   -0.000000295   -0.000001106
     14        1           0.000000957   -0.000000083   -0.000000071
     15        6          -0.000003738   -0.000000406    0.000000295
     16        1          -0.000000323    0.000001379   -0.000000358
     17        1          -0.000000835    0.000000397   -0.000003222
     18        1           0.000001117   -0.000000020   -0.000000430
     19        1          -0.000001342   -0.000000500   -0.000001205
     20        1           0.000001368   -0.000001377    0.000000185
     21        1           0.000000210    0.000000992    0.000000039
     22        1           0.000003118    0.000000275    0.000001056
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000015820 RMS     0.000003841
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.143405D+03  0.188449D+01 -0.350988D+01
      2   0.188449D+01  0.125863D+03  0.154811D+01
      3  -0.350988D+01  0.154811D+01  0.787830D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.284914D+00  0.108922D+01  0.176556D+01
      2   0.102017D+02 -0.561708D+01  0.131501D+02
      3   0.409519D+00  0.326586D+02  0.523191D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.755112D+02 -0.151810D+02  0.143863D+02
      2   0.389231D+02  0.149702D+01 -0.137524D+02
      3   0.365881D+02  0.136840D+02 -0.633876D+00
      4  -0.270595D+02 -0.331828D+02 -0.104273D+02
      5   0.152626D+02 -0.135515D+02  0.334727D+02
      6  -0.710260D+01 -0.127300D+01  0.918973D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.599693D-01 -0.123600D+01 -0.644856D+00 -0.488876D+01 -0.122522D+00
      2  -0.123600D+01 -0.254160D+01 -0.618473D+00 -0.122522D+00 -0.231463D+01
      3  -0.644856D+00 -0.618473D+00 -0.122703D+01  0.610572D+00  0.399854D+00
                 6             7             8             9            10 
      1   0.610572D+00 -0.120278D+01 -0.533642D-01 -0.354128D+01 -0.515320D+01
      2   0.399854D+00 -0.533642D-01  0.487349D+00 -0.377797D+01  0.870876D+00
      3  -0.193040D+01 -0.354128D+01 -0.377797D+01  0.141273D+00 -0.455259D+00
                11            12            13            14            15 
      1   0.870876D+00 -0.455259D+00  0.131616D+01  0.215572D+01  0.302016D+00
      2  -0.254568D+01 -0.725372D-01  0.215572D+01  0.220878D+01 -0.362379D+00
      3  -0.725372D-01 -0.200872D+01  0.302016D+00 -0.362379D+00  0.538028D+00
                16            17            18            19            20 
      1  -0.745701D+00  0.569092D+00 -0.526324D+01  0.995814D+00 -0.297089D+01
      2   0.569092D+00  0.235302D+00  0.724988D+00 -0.297089D+01 -0.379592D+01
      3  -0.526324D+01  0.724988D+00  0.124673D+01 -0.311496D+00  0.572048D+00
                21            22            23            24            25 
      1  -0.311496D+00  0.499426D+01 -0.444056D+00 -0.125813D+00  0.130743D+00
      2   0.572048D+00 -0.444056D+00  0.741059D+00 -0.366380D+00  0.947070D+00
      3  -0.439645D+00 -0.125813D+00 -0.366380D+00  0.178144D+01 -0.245429D+01
                26            27            28            29            30 
      1   0.947070D+00 -0.245429D+01  0.721183D+00  0.282112D+01 -0.222899D+00
      2  -0.512978D+00  0.355879D+01  0.282112D+01  0.706217D+01 -0.801100D-01
      3   0.355879D+01  0.127914D+01 -0.222899D+00 -0.801100D-01  0.117730D+01
                31            32            33            34            35 
      1   0.114570D+02  0.433154D+01 -0.922218D+00  0.164387D+01 -0.280384D+00
      2   0.433154D+01  0.629397D+01 -0.451419D+00 -0.280384D+00 -0.293222D+00
      3  -0.922218D+00 -0.451419D+00  0.118785D+01  0.169521D+01  0.298286D+01
                36            37            38            39            40 
      1   0.169521D+01  0.148907D+02 -0.180243D+01 -0.182718D+01 -0.576181D+01
      2   0.298286D+01 -0.180243D+01  0.366877D+01  0.146536D+00 -0.331848D+01
      3   0.799629D-01 -0.182718D+01  0.146536D+00  0.168204D+01 -0.130726D+00
                41            42            43            44            45 
      1  -0.331848D+01 -0.130726D+00 -0.134566D+01 -0.410136D+00  0.323376D+01
      2  -0.572573D+00  0.574314D+00 -0.410136D+00  0.390339D+00 -0.829173D+00
      3   0.574314D+00  0.172267D+00  0.323376D+01 -0.829173D+00 -0.126553D+01
                46            47            48            49            50 
      1  -0.154000D+01  0.330676D+01  0.279419D+00 -0.555724D+01  0.811253D+00
      2   0.330676D+01  0.215881D+01 -0.419532D+00  0.811253D+00 -0.201785D+01
      3   0.279419D+00 -0.419532D+00  0.583502D+00  0.229524D+00  0.317045D+00
                51            52            53            54            55 
      1   0.229524D+00  0.585073D-01 -0.529685D+00  0.461578D+00 -0.394047D+01
      2   0.317045D+00 -0.529685D+00  0.124394D+00 -0.413155D+01  0.228817D+01
      3  -0.183342D+01  0.461578D+00 -0.413155D+01 -0.119927D+01  0.102750D+01
                56            57            58            59            60 
      1   0.228817D+01  0.102750D+01  0.287844D+01 -0.315422D+01  0.269131D+00
      2  -0.226578D+01  0.175693D+00 -0.315422D+01 -0.215851D+01 -0.151136D+01
      3   0.175693D+00 -0.170633D+01  0.269131D+00 -0.151136D+01  0.571499D+00
                61            62            63            64            65 
      1   0.308483D+01  0.161142D+00 -0.333766D+01 -0.401903D+01 -0.358746D+01
      2   0.161142D+00 -0.212711D+01  0.368035D+00 -0.358746D+01  0.958769D+00
      3  -0.333766D+01  0.368035D+00  0.781607D+01  0.207669D+01  0.648772D+00
                66            67            68            69            70 
      1   0.207669D+01 -0.373184D+01  0.847481D+00  0.810780D+00  0.332827D+01
      2   0.648772D+00  0.847481D+00  0.266504D+01  0.137959D+01  0.157241D+01
      3  -0.146515D+01  0.810780D+00  0.137959D+01  0.358517D+00 -0.232766D+01
                71            72            73            74            75 
      1   0.157241D+01 -0.232766D+01 -0.211512D+01  0.946003D+00 -0.202630D+00
      2   0.158280D+01  0.147362D+00  0.946003D+00 -0.211650D+01  0.814732D+00
      3   0.147362D+00 -0.576971D+01 -0.202630D+00  0.814732D+00 -0.283722D-01
                76            77            78            79            80 
      1   0.103969D+00 -0.379629D+01  0.888679D+00  0.501941D+00  0.171308D+01
      2  -0.379629D+01 -0.763656D+01 -0.562571D+00  0.171308D+01 -0.285419D-02
      3   0.888679D+00 -0.562571D+00 -0.337985D+01 -0.141998D+01 -0.570654D+01
                81            82            83            84            85 
      1  -0.141998D+01 -0.551331D+01 -0.413574D+01  0.181726D+00 -0.402001D+01
      2  -0.570654D+01 -0.413574D+01 -0.360131D+01  0.179345D+00 -0.464398D+01
      3   0.315277D+01  0.181726D+00  0.179345D+00 -0.609012D+00 -0.495927D-01
                86            87            88            89            90 
      1  -0.464398D+01 -0.495927D-01  0.331562D+00  0.149217D+00  0.207237D-01
      2  -0.657571D+01  0.471269D-02  0.149217D+00 -0.185852D-01 -0.123354D-02
      3   0.471269D-02 -0.721186D+00  0.207237D-01 -0.123354D-02 -0.953301D-02
                91            92            93            94            95 
      1  -0.130096D+02  0.133999D+01  0.136039D+01  0.148288D+01 -0.175067D+01
      2   0.133999D+01 -0.878195D+00 -0.140668D+00 -0.175067D+01  0.560473D+00
      3   0.136039D+01 -0.140668D+00 -0.108820D+01 -0.272896D+00  0.198447D+00
                96            97            98            99           100 
      1  -0.272896D+00  0.170936D+01 -0.309834D+00 -0.135314D+00 -0.218851D+01
      2   0.198447D+00 -0.309834D+00  0.183608D+00  0.514183D-01  0.240808D+01
      3   0.181703D+00 -0.135314D+00  0.514183D-01  0.153093D+00  0.350730D+00
               101           102           103           104           105 
      1   0.240808D+01  0.350730D+00  0.237681D+01 -0.362928D+01 -0.380458D+00
      2  -0.263185D+01 -0.390706D+00 -0.362928D+01  0.900560D+01  0.930306D+00
      3  -0.390706D+00 -0.439239D+00 -0.380458D+00  0.930306D+00  0.991617D+00
               106           107           108           109           110 
      1   0.386371D+00 -0.558333D+00 -0.120003D+00  0.122900D+01 -0.169026D+01
      2  -0.558333D+00  0.115842D+01  0.189635D+00 -0.169026D+01  0.194334D+01
      3  -0.120003D+00  0.189635D+00  0.104441D+00 -0.154158D+00  0.300654D+00
               111           112           113           114           115 
      1  -0.154158D+00 -0.135378D+01  0.168548D+01  0.135853D+00 -0.204183D+00
      2   0.300654D+00  0.168548D+01 -0.921194D+01 -0.931978D+00  0.283594D+00
      3   0.228750D+00  0.135853D+00 -0.931978D+00 -0.929838D+00 -0.582031D-01
               116           117           118           119           120 
      1   0.283594D+00 -0.582031D-01  0.264173D+01 -0.607012D+00 -0.191812D+01
      2  -0.948979D+00 -0.674613D-01 -0.607012D+00  0.739645D+00  0.116687D+00
      3  -0.674613D-01 -0.144595D+00 -0.191812D+01  0.116687D+00  0.173159D+01
               121           122           123           124           125 
      1  -0.100906D+01  0.151530D+01  0.124312D+00 -0.541014D+01  0.538594D+00
      2   0.151530D+01 -0.351453D+00 -0.955677D+00  0.538594D+00 -0.118970D+01
      3   0.124312D+00 -0.955677D+00 -0.345260D+00  0.366154D+01 -0.675999D+00
               126           127           128           129           130 
      1   0.366154D+01 -0.718100D+01 -0.771157D+00  0.130930D+01 -0.365527D+01
      2  -0.675999D+00 -0.771157D+00  0.283220D+01 -0.316611D+00  0.305579D+01
      3  -0.891309D+01  0.130930D+01 -0.316611D+00  0.155146D+01 -0.451463D+00
               131           132           133           134           135 
      1   0.305579D+01 -0.451463D+00  0.204431D+01 -0.105045D+01  0.107620D+01
      2   0.272094D+01  0.262988D+01 -0.105045D+01  0.303871D+01  0.676433D+00
      3   0.262988D+01  0.235841D+00  0.107620D+01  0.676433D+00 -0.598462D+01
               136           137           138           139           140 
      1   0.902728D+01  0.321292D+01 -0.175320D+01  0.285720D+01  0.207908D+01
      2   0.321292D+01  0.198830D+01 -0.620125D+00  0.207908D+01  0.165125D+01
      3  -0.175320D+01 -0.620125D+00  0.138185D+01 -0.591801D+00 -0.763276D+00
               141           142           143           144           145 
      1  -0.591801D+00 -0.377836D+01 -0.130974D+01  0.203016D+01  0.158391D+01
      2  -0.763276D+00 -0.130974D+01 -0.133904D+01  0.795161D+00  0.548535D+00
      3   0.502119D+00  0.203016D+01  0.795161D+00 -0.746017D+00  0.127300D+01
               146           147           148           149           150 
      1   0.548535D+00  0.127300D+01  0.159039D+00  0.422541D+00 -0.184329D+00
      2   0.400230D-01  0.135261D+00  0.422541D+00 -0.220391D+00  0.666905D+00
      3   0.135261D+00  0.970835D+00 -0.184329D+00  0.666905D+00 -0.379805D+00
               151           152           153           154           155 
      1   0.227562D+01  0.580374D-01  0.287038D+01  0.106550D+01  0.768511D+00
      2   0.580374D-01  0.147322D+01  0.621305D+00  0.768511D+00  0.257002D+00
      3   0.287038D+01  0.621305D+00  0.710969D+01 -0.938268D+00 -0.314711D+00
               156           157           158           159           160 
      1  -0.938268D+00  0.948199D+00  0.170027D+01 -0.577633D+00 -0.280080D+01
      2  -0.314711D+00  0.170027D+01  0.536208D+01 -0.251727D+01 -0.202668D+01
      3   0.320048D+00 -0.577633D+00 -0.251727D+01  0.230718D+01  0.135123D+01
               161           162           163           164           165 
      1  -0.202668D+01  0.135123D+01 -0.210710D+00  0.635394D+00  0.699986D+00
      2  -0.515882D+01  0.469862D+01  0.635394D+00 -0.741208D+00 -0.178863D+00
      3   0.469862D+01 -0.598356D+01  0.699986D+00 -0.178863D+00 -0.132695D+00
               166           167           168           169           170 
      1   0.140209D+01  0.127194D+01  0.193670D+00  0.106786D+01  0.326779D+00
      2   0.127194D+01  0.861607D+01  0.260987D+01  0.326779D+00  0.456837D+01
      3   0.193670D+00  0.260987D+01  0.206258D+01  0.525904D+00  0.334405D+01
               171           172           173           174           175 
      1   0.525904D+00  0.156047D+00  0.972238D-01  0.607187D+00  0.641832D+00
      2   0.334405D+01  0.972238D-01 -0.729795D+00  0.225293D+00 -0.287445D+00
      3   0.204171D+01  0.607187D+00  0.225293D+00 -0.113762D+01  0.953263D-01
               176           177           178           179           180 
      1  -0.287445D+00  0.953263D-01  0.158606D+01 -0.555271D+00  0.673851D+00
      2  -0.489501D+00  0.590195D+00 -0.555271D+00  0.156283D+01 -0.137003D+01
      3   0.590195D+00 -0.768397D-01  0.673851D+00 -0.137003D+01  0.739106D+01
               181           182           183           184           185 
      1   0.123688D+02 -0.187966D+01 -0.280010D+00  0.725827D+00  0.793309D+00
      2  -0.187966D+01  0.148809D+01 -0.806915D-01  0.793309D+00 -0.344732D+00
      3  -0.280010D+00 -0.806915D-01  0.112927D+01  0.981243D-01 -0.350273D+00
               186           187           188           189           190 
      1   0.981243D-01 -0.150657D+01  0.326090D+00  0.114148D+01  0.130938D+00
      2  -0.350273D+00  0.326090D+00 -0.732647D+00 -0.232100D+00 -0.562967D+00
      3   0.132086D+00  0.114148D+01 -0.232100D+00  0.909493D-01 -0.457859D+00
               191           192           193           194           195 
      1  -0.562967D+00 -0.457859D+00 -0.136591D+01  0.477248D+00 -0.710594D-01
      2  -0.128928D+01 -0.819913D-01  0.477248D+00 -0.793141D+01 -0.152853D+01
      3  -0.819913D-01 -0.474645D+00 -0.710594D-01 -0.152853D+01 -0.142612D+01
               196           197           198 
      1  -0.115511D+01  0.438774D+00 -0.844030D-01
      2   0.438774D+00 -0.248141D+01 -0.136659D+01
      3  -0.844030D-01 -0.136659D+01 -0.590959D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.134640D+01 -0.159127D+00 -0.278166D+01  0.125510D+01  0.327707D-02
      2   0.580060D+00  0.110588D+01  0.265877D+01 -0.480579D+00 -0.503004D+00
      3  -0.774606D+01 -0.111153D+02 -0.241207D+00  0.811408D+01 -0.281510D+01
                 6             7             8             9            10 
      1  -0.135105D+01 -0.822227D+01  0.348174D+01  0.149137D+01  0.460201D+00
      2   0.467910D+01 -0.247794D+01  0.118674D+02  0.891074D+00  0.705459D-01
      3  -0.119230D+00  0.116015D+01  0.190284D+01 -0.553874D+01  0.438992D+01
                11            12            13            14            15 
      1   0.648045D+00  0.409728D+00  0.111148D+01 -0.107877D+01  0.120302D+01
      2  -0.145289D+00  0.617002D+01 -0.204328D+01 -0.365149D+00 -0.848496D+00
      3  -0.782508D+01 -0.181289D+00  0.116786D+02  0.420356D+01 -0.143052D+01
                16            17            18            19            20 
      1   0.211254D+01  0.121247D+02  0.771083D+00  0.100707D+01 -0.954400D+00
      2   0.860207D+01 -0.331875D+01 -0.248002D+01  0.463682D+00  0.171595D-02
      3   0.124468D+01 -0.275208D+00  0.251701D+01 -0.278272D+01 -0.164707D+02
                21            22            23            24            25 
      1  -0.160246D+00 -0.101299D+01  0.284109D+00 -0.172262D+01  0.452423D+01
      2   0.153169D+00  0.117629D+01  0.153841D+01 -0.457225D+01 -0.912664D+01
      3  -0.576870D+00 -0.328022D+00  0.608101D+00 -0.350285D+00  0.318753D+00
                26            27            28            29            30 
      1   0.213268D+01  0.702905D-02 -0.168312D+01  0.175828D+01 -0.483255D+00
      2  -0.103326D+02 -0.822933D+00 -0.291958D+01 -0.146060D+01 -0.757506D+00
      3   0.884823D+00  0.553906D+01 -0.416675D+01  0.523354D+01  0.166339D+01
                31            32            33            34            35 
      1   0.174885D+01  0.726668D+00 -0.997033D+00 -0.321805D+01  0.649600D+01
      2   0.182127D+01 -0.173784D+01 -0.152804D+01 -0.146530D+02 -0.117623D+01
      3   0.970776D+01  0.215816D+02 -0.128610D+01  0.328468D+01 -0.151282D+01
                36            37            38            39            40 
      1   0.249818D+00  0.500155D+00  0.171566D+01  0.116565D+01  0.217849D+01
      2   0.115573D+01 -0.161100D+01 -0.938342D+00 -0.872339D+00 -0.988027D+00
      3   0.375814D+01 -0.821843D+01  0.113418D+02  0.139398D+01  0.100778D+02
                41            42            43            44            45 
      1  -0.321672D+00 -0.612784D+00  0.384991D+01  0.103473D+02 -0.642850D-01
      2   0.402305D+00  0.569639D+00 -0.124108D+02  0.337541D+00  0.117213D+01
      3  -0.655260D+01 -0.141701D+01 -0.757799D+00 -0.546294D+01 -0.266701D+01
                46            47            48            49            50 
      1   0.682954D+00 -0.565608D+00  0.237838D+01 -0.337255D+00 -0.878145D+00
      2  -0.268969D+01  0.181619D+01 -0.122725D+01 -0.124205D+00  0.648484D+00
      3   0.106047D+02 -0.460953D+01 -0.244961D+01  0.725909D+01 -0.731908D+01
                51            52            53            54            55 
      1  -0.266725D+01  0.449024D+01  0.253425D+00 -0.161894D+01 -0.109294D+01
      2   0.204575D+01 -0.142060D+02  0.182520D+01  0.233918D+01  0.160445D-01
      3  -0.124784D+00 -0.406382D+01  0.132825D+01 -0.567857D+01 -0.234374D+01
                56            57            58            59            60 
      1   0.177585D+01 -0.100933D+01  0.278112D+01 -0.885879D+00 -0.126087D+01
      2   0.831695D+00 -0.308916D+00  0.135784D+01 -0.534231D+01  0.848023D+00
      3  -0.337668D+01 -0.112501D+01  0.115058D+02  0.763414D+01  0.417760D+01
                61            62            63            64            65 
      1  -0.336841D+01  0.623400D+01  0.295775D+01 -0.316306D+01 -0.114070D+01
      2  -0.104750D+02  0.879577D+00  0.118453D+02  0.669428D+01  0.321423D+01
      3  -0.338464D+01  0.692713D+01  0.209523D+01  0.805253D+01 -0.119701D+02
                66            67            68            69            70 
      1   0.174906D+01 -0.180348D+01 -0.331593D+01 -0.241620D+01  0.364765D+01
      2  -0.188431D+01  0.373660D+01  0.330649D+01  0.353124D+00 -0.110928D+02
      3   0.153845D+01 -0.803256D+01 -0.550428D+01 -0.333826D+01  0.781049D+00
                71            72            73            74            75 
      1   0.192934D+01  0.551344D+01  0.628517D+00 -0.246424D+01 -0.396365D+00
      2  -0.119810D+01 -0.115799D+02 -0.128181D+01  0.897230D+00  0.181493D+01
      3  -0.422611D+01 -0.311419D+01 -0.709608D+01  0.847727D+00 -0.150551D+01
                76            77            78            79            80 
      1  -0.661640D+00  0.459036D+01  0.654605D+01  0.542696D+01  0.205378D+02
      2   0.181848D+00  0.195082D+00 -0.222477D+01 -0.534746D+01 -0.522906D+01
      3   0.129350D+02 -0.588715D+01  0.373714D+01 -0.751929D+00  0.738811D+01
                81            82            83            84            85 
      1  -0.594710D+01  0.344666D+00  0.391909D+00 -0.243650D+01 -0.168323D+00
      2   0.250907D+01 -0.638053D+00 -0.723077D+00  0.313762D+01  0.209609D-01
      3   0.116152D+01 -0.121098D+01 -0.459820D+01  0.295155D+00 -0.342980D+01
                86            87            88            89            90 
      1  -0.459775D-01 -0.321494D+01  0.118731D+01  0.150109D+01  0.300720D-01
      2  -0.168388D+00  0.324267D+01 -0.113339D+01 -0.109813D+01 -0.861768D-01
      3  -0.107015D+02  0.122901D+00 -0.385315D+00 -0.754415D+00  0.208395D+00
                91            92            93            94            95 
      1   0.541098D-01 -0.453972D+00  0.603505D+00 -0.221254D+00  0.141305D+00
      2  -0.191868D+01  0.209214D+00  0.639883D+01  0.672887D+00 -0.417808D+00
      3   0.230047D+01 -0.540916D+01 -0.282432D+00 -0.430277D+01  0.191758D+01
                96            97            98            99           100 
      1  -0.380214D+00 -0.496351D+00  0.259460D+00 -0.865139D-01 -0.909031D-01
      2  -0.971010D+00 -0.238659D+01  0.416340D+00 -0.591005D+00 -0.373487D+00
      3   0.579862D+00 -0.467158D+00  0.650396D+00 -0.105101D+00  0.100908D+01
               101           102           103           104           105 
      1   0.203696D+00  0.153939D+01  0.283940D-01  0.429873D+00 -0.431316D+01
      2   0.578858D+00  0.139733D+01  0.307640D+00 -0.168834D+01 -0.288466D+01
      3  -0.262200D+01 -0.361800D+00 -0.878869D+00  0.146328D+02  0.149497D+01
               106           107           108           109           110 
      1  -0.466600D+00  0.168404D+01 -0.404918D+00  0.174763D+00 -0.301067D-02
      2  -0.802499D+00  0.572364D+00 -0.287744D+00  0.591341D+00 -0.660549D+00
      3  -0.260688D+00  0.140163D+01 -0.229852D+00 -0.623861D+01  0.550629D+01
               111           112           113           114           115 
      1   0.129849D+01 -0.279219D+00  0.627836D+00 -0.429685D+01 -0.622014D+00
      2   0.150188D+00 -0.869720D+00  0.961582D+00 -0.166608D+00 -0.967164D+00
      3   0.534814D+00  0.804984D+01 -0.117445D+02 -0.111691D+01  0.106569D+01
               116           117           118           119           120 
      1   0.201635D+01 -0.287120D+00 -0.695134D+00 -0.138352D+01  0.758845D+00
      2   0.290119D+00 -0.213508D+00 -0.120385D+01 -0.106172D-01  0.314731D+01
      3  -0.185543D+01  0.259172D+00 -0.775756D+00 -0.331262D+01  0.110006D+01
               121           122           123           124           125 
      1  -0.122258D+01 -0.548732D+00 -0.835709D+00  0.893140D+00  0.259311D+01
      2   0.292416D+00 -0.216958D+00 -0.900824D+00  0.158938D+01 -0.519569D+00
      3  -0.230802D+01 -0.828301D+00  0.203431D+01  0.181838D+01  0.228569D+01
               126           127           128           129           130 
      1  -0.352435D+01  0.256747D+01 -0.170620D-01  0.282846D+01 -0.213446D+01
      2  -0.140307D+02  0.747865D+01 -0.192613D+01  0.556250D+01 -0.244669D+01
      3  -0.263007D+00  0.191845D+02 -0.115113D+02 -0.148825D+01 -0.189420D+01
               131           132           133           134           135 
      1   0.847800D+01 -0.247195D+00  0.262991D+00  0.431350D+01 -0.972072D+01
      2   0.658620D+01  0.610169D+00 -0.339903D+00  0.266245D+01 -0.152185D+02
      3  -0.163386D+02 -0.747162D+01 -0.107737D+01 -0.720950D+01 -0.420575D+01
               136           137           138           139           140 
      1   0.228472D+01  0.503605D+00 -0.247454D+01  0.661023D+00  0.740747D+00
      2  -0.456676D+01 -0.174608D+01  0.573818D+01 -0.166097D+01 -0.183741D+01
      3   0.467466D+01 -0.397525D+01 -0.956212D+00  0.507145D+00 -0.215328D+01
               141           142           143           144           145 
      1  -0.148803D+01 -0.253503D+01  0.156926D+00  0.117657D+01 -0.112798D+01
      2   0.187712D+01  0.379061D+01  0.175849D+01 -0.260211D+01  0.176481D+01
      3   0.132802D+01 -0.216263D+01  0.308719D+01  0.805958D+00 -0.149765D+00
               146           147           148           149           150 
      1   0.183432D+00 -0.139551D+01  0.323186D+00 -0.132844D+01 -0.260252D+00
      2  -0.230900D+00  0.307190D+01 -0.664582D+00  0.111602D+01 -0.688368D+00
      3  -0.205349D+00  0.138387D+01  0.170312D+01  0.231728D+01 -0.168297D+01
               151           152           153           154           155 
      1  -0.340528D+01  0.260778D+01 -0.827600D+01  0.193598D+01  0.215290D+00
      2   0.281187D+01  0.144803D+01  0.155640D+02  0.409530D+00 -0.160722D+00
      3   0.355424D+01 -0.523962D+01  0.191721D+01  0.377577D+01  0.288864D+00
               156           157           158           159           160 
      1  -0.685793D+00  0.122870D+01  0.350600D+01 -0.646590D+01 -0.303587D+01
      2   0.110296D+01  0.162671D+00 -0.178570D+01  0.197740D+01 -0.650414D+00
      3  -0.217318D+01  0.169424D+01 -0.657875D+00  0.709601D+00 -0.619098D+01
               161           162           163           164           165 
      1  -0.809173D+01  0.134387D+02 -0.110639D+01  0.566917D+00  0.496539D+00
      2   0.357271D+01 -0.467548D+01  0.279082D+00 -0.374600D+00  0.695710D+00
      3  -0.323761D+00 -0.889145D+00 -0.962857D+00 -0.300435D+00  0.174233D+01
               166           167           168           169           170 
      1  -0.142361D+01 -0.718068D+01 -0.733009D+01 -0.149183D+01 -0.728782D+01
      2  -0.438499D+00  0.212816D+01  0.160580D+01 -0.698615D+00  0.228310D+01
      3   0.464798D+01 -0.465038D+01 -0.221313D+01  0.431677D+01 -0.380619D+01
               171           172           173           174           175 
      1  -0.627795D+01  0.875673D+00 -0.568690D+00 -0.177882D+01 -0.145584D+00
      2   0.134360D+01  0.221699D+01  0.452950D+00 -0.222416D+01  0.120452D+00
      3  -0.206069D+01 -0.205332D+00  0.145331D+01 -0.155804D+01  0.122843D+01
               176           177           178           179           180 
      1   0.105138D+01 -0.110864D+01  0.391576D+00  0.135151D+01  0.129943D+02
      2   0.138044D+01 -0.432925D+00 -0.233248D+01 -0.298411D+01  0.186470D+02
      3   0.148579D+01 -0.142836D+01 -0.172741D+01 -0.361437D+01  0.343002D+01
               181           182           183           184           185 
      1  -0.209176D+00  0.196864D+00  0.208188D+01  0.282252D+00 -0.631984D+00
      2  -0.387293D+01 -0.135661D-01  0.604056D+01  0.234456D+00 -0.100419D+01
      3  -0.169056D+02 -0.474006D+01  0.931593D+00 -0.165686D+01 -0.359673D+00
               186           187           188           189           190 
      1  -0.428870D+00  0.140913D+01  0.360372D+00  0.179215D+00 -0.100117D+01
      2   0.534516D+00  0.197499D+01 -0.333088D+00  0.756706D-01 -0.124461D+01
      3   0.111298D+01  0.142731D+01  0.188913D+01 -0.102648D+01  0.386904D+01
               191           192           193           194           195 
      1  -0.449220D+00 -0.170789D+01 -0.432736D+00 -0.513733D+01 -0.574352D+01
      2   0.565047D-01 -0.573393D+00 -0.368786D+00 -0.319609D+01 -0.312535D+01
      3   0.443066D+01  0.154281D+01  0.542751D+01  0.220731D+02  0.492629D+01
               196           197           198 
      1  -0.391940D+00 -0.206191D+01 -0.182852D+01
      2  -0.137339D+01 -0.266520D+01 -0.119912D+01
      3   0.225805D+01  0.653517D+01  0.408680D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.481011D+00 -0.219877D+02 -0.135060D+01  0.272616D+02  0.675090D+01
      2  -0.400383D+01  0.168969D+02 -0.451704D-01 -0.264386D+02 -0.116777D+02
      3   0.352282D+01  0.509078D+01  0.139577D+01 -0.823016D+00  0.492683D+01
      4  -0.205038D+02  0.697300D+01  0.500981D+01  0.721058D+01 -0.137818D+02
      5   0.170084D+01  0.560632D+01  0.633849D+01 -0.134666D+01 -0.288972D+01
      6   0.486609D+01  0.246112D+01  0.618824D+01 -0.331960D+01  0.463679D+00
                 6             7             8             9            10 
      1  -0.190286D+00  0.660264D+01  0.607884D+01  0.262981D+01 -0.791639D+01
      2   0.117649D+01 -0.477884D+01 -0.507272D+01 -0.806539D+01  0.491943D+01
      3  -0.986200D+00 -0.182380D+01 -0.100612D+01  0.543558D+01  0.299696D+01
      4  -0.376915D+01  0.475204D+01 -0.280267D+01  0.169408D+02  0.426294D+01
      5   0.103201D+02  0.227862D+02  0.189285D+02  0.158381D+01  0.885926D+01
      6   0.416314D+01  0.112113D+02  0.146709D+02 -0.232183D+01 -0.376931D+00
                11            12            13            14            15 
      1   0.166362D+01  0.588756D+01 -0.129014D+02 -0.250460D+02 -0.233387D+01
      2  -0.377794D-01 -0.360953D+01  0.108649D+02  0.240511D+02  0.298058D+01
      3  -0.162584D+01 -0.227803D+01  0.203653D+01  0.994928D+00 -0.646717D+00
      4   0.221928D+02 -0.297405D+00 -0.266345D+02  0.850595D+01  0.367748D+01
      5  -0.847638D+00  0.133593D+02 -0.462525D+01  0.297611D+01 -0.210655D+01
      6  -0.121153D+01 -0.109956D+01  0.339456D+01 -0.775901D+00 -0.327711D+01
                16            17            18            19            20 
      1   0.102764D+02 -0.380006D+01  0.157155D+02  0.141726D+02  0.220203D+02
      2  -0.383564D+01  0.270676D+01 -0.208102D+02 -0.138425D+02 -0.163539D+02
      3  -0.644077D+01  0.109331D+01  0.509467D+01 -0.330131D+00 -0.566647D+01
      4  -0.602417D+01 -0.875981D+00 -0.188089D+01  0.116820D+02 -0.122252D+02
      5   0.365343D+02 -0.384481D+01 -0.541934D+01  0.116878D+01 -0.462105D+01
      6  -0.295748D+00  0.350333D+01 -0.121730D+01 -0.285943D+01  0.490571D+01
                21            22            23            24            25 
      1  -0.488711D+00 -0.211570D+02  0.132964D+02  0.180056D+01  0.974212D-01
      2   0.377535D+00  0.190364D+02 -0.204119D+02 -0.371037D+01  0.244704D+01
      3   0.111177D+00  0.212062D+01  0.711551D+01  0.190982D+01 -0.254446D+01
      4  -0.423827D+01  0.913227D+01  0.275224D+01  0.163619D+01 -0.470562D+01
      5  -0.895649D+00 -0.143175D+00  0.211022D+01 -0.894865D+01  0.115144D+02
      6  -0.813726D+00  0.113901D+01 -0.467611D+01  0.462939D+01 -0.827732D+01
                26            27            28            29            30 
      1  -0.252711D+01 -0.383349D+01 -0.104635D+02 -0.270430D+02 -0.782005D+00
      2  -0.254071D+01 -0.433297D+01  0.912757D+01  0.214566D+02 -0.137365D+01
      3   0.506782D+01  0.816646D+01  0.133591D+01  0.558637D+01  0.215566D+01
      4   0.650910D+01 -0.171582D+02 -0.989607D+01 -0.750749D+01 -0.752846D-01
      5  -0.166508D+02 -0.229856D+01 -0.940983D+00  0.291501D+00 -0.628298D+00
      6   0.142961D+02  0.214648D+01  0.257109D-01 -0.293798D+01  0.159945D+01
                31            32            33            34            35 
      1  -0.111456D+02 -0.851584D+01 -0.934591D-01  0.127222D+01  0.108314D+01
      2   0.368505D+00  0.763983D+01  0.411092D+00 -0.271426D+01 -0.109485D+01
      3   0.107771D+02  0.876006D+00 -0.317633D+00  0.144205D+01  0.117086D-01
      4   0.756365D+01 -0.887828D+01 -0.186876D+01 -0.531874D+00  0.166033D+01
      5  -0.216587D+01 -0.184855D+01 -0.793908D+00  0.128168D+01 -0.235242D+01
      6  -0.705821D+01 -0.174969D+01  0.276248D+01  0.309352D+01  0.950932D+01
                36            37            38            39            40 
      1  -0.124982D+02 -0.239130D+02  0.475063D+01 -0.343262D+00 -0.304018D+01
      2   0.163037D+01  0.846217D+01 -0.129244D+01 -0.834573D-02  0.582486D+01
      3   0.108679D+02  0.154508D+02 -0.345818D+01  0.351608D+00 -0.278468D+01
      4  -0.897272D+00 -0.669163D+01  0.681170D+01  0.955462D+00 -0.122443D+02
      5   0.185802D+01 -0.647002D+01 -0.487686D-01  0.847279D+00  0.168642D+00
      6  -0.896086D+00  0.777996D+00 -0.172147D+01 -0.154225D+01  0.536495D+01
                41            42            43            44            45 
      1  -0.395335D+01  0.447399D+00  0.378639D+01 -0.205207D+01 -0.890275D+01
      2   0.109936D+02  0.113678D+01 -0.522663D+00  0.258833D+01 -0.395330D+01
      3  -0.704021D+01 -0.158418D+01 -0.326372D+01 -0.536261D+00  0.128561D+02
      4   0.693009D+01  0.336059D+01 -0.157019D+01  0.355727D+01 -0.189982D+01
      5   0.235899D+01  0.111130D+00  0.301298D+01  0.767367D+00  0.330288D+00
      6   0.995581D+00 -0.560833D+00 -0.155954D+01  0.307608D+01  0.950304D-01
                46            47            48            49            50 
      1   0.727998D+01  0.963208D+01 -0.121348D+01  0.424421D+01  0.756609D+01
      2  -0.556481D+01 -0.106860D+02  0.109751D+01  0.461457D+01 -0.140092D+02
      3  -0.171517D+01  0.105396D+01  0.115969D+00 -0.885878D+01  0.644309D+01
      4   0.124200D+02 -0.197298D+02 -0.201893D+01  0.159690D+02  0.120379D+02
      5   0.354380D+00 -0.213407D+01 -0.346754D+01  0.133314D+01  0.483817D+00
      6  -0.390855D+01  0.257897D+01 -0.438097D+01  0.906738D-01 -0.464856D+01
                51            52            53            54            55 
      1   0.204530D+01 -0.162473D+01  0.589496D+00 -0.169591D+02  0.162040D+02
      2  -0.335013D+01  0.271822D+01 -0.424071D+01  0.592730D+01 -0.478744D+01
      3   0.130483D+01 -0.109349D+01  0.365121D+01  0.110318D+02 -0.114166D+02
      4   0.780874D-02  0.201823D+01  0.451632D+01  0.659718D+01  0.984460D+01
      5   0.202224D+01  0.103892D+01  0.683792D+01  0.475970D+01  0.437060D+01
      6   0.618858D+01 -0.296907D+01  0.193538D+02  0.475593D+01 -0.427373D+00
                56            57            58            59            60 
      1   0.822237D+00 -0.112705D+01  0.473810D+01 -0.744145D+01  0.122663D+01
      2   0.180145D+01 -0.336392D+01 -0.446525D+00  0.397304D+00  0.936454D+00
      3  -0.262369D+01  0.449097D+01 -0.429158D+01  0.704415D+01 -0.216308D+01
      4  -0.102984D+02  0.290655D+00 -0.203439D+02 -0.678827D+01 -0.751009D+01
      5   0.114406D+01 -0.798844D+01  0.182977D+01 -0.738682D+01  0.311294D+01
      6  -0.334987D+01  0.270176D+01 -0.542396D+01  0.277292D+01 -0.199433D+01
                61            62            63            64            65 
      1  -0.964097D+01  0.196486D+01  0.399526D+01 -0.153024D+02 -0.172553D+02
      2  -0.104253D+02  0.300379D+01  0.111527D+02  0.176416D+01  0.943222D+01
      3   0.200663D+02 -0.496866D+01 -0.151480D+02  0.135382D+02  0.782309D+01
      4   0.619556D+00 -0.118006D+02  0.487274D+01 -0.210579D+02 -0.676626D+01
      5  -0.157060D+02  0.295977D+01  0.328497D+02  0.140298D+02  0.502713D+01
      6   0.567022D+01 -0.445855D+00 -0.763316D+01  0.608772D+01  0.295302D+01
                66            67            68            69            70 
      1   0.882926D+01 -0.197191D+02  0.114342D+01  0.147949D+01  0.142114D+02
      2  -0.147008D+01  0.110916D+02  0.176027D+01  0.903574D+00  0.224298D-01
      3  -0.735918D+01  0.862748D+01 -0.290369D+01 -0.238306D+01 -0.142338D+02
      4   0.618399D+01 -0.281040D+01  0.129965D+02  0.689546D+01  0.126878D+02
      5  -0.777429D+01  0.587980D+01  0.580293D+01  0.805548D+00 -0.131955D+02
      6  -0.340181D+01  0.424114D+01  0.559615D+01  0.186819D+01 -0.615027D+01
                71            72            73            74            75 
      1   0.663974D+01 -0.813705D+01 -0.578804D+01  0.107244D+02 -0.396775D+01
      2  -0.170691D+01  0.150373D+02  0.911029D+01 -0.620947D+01  0.416467D+01
      3  -0.493282D+01 -0.690025D+01 -0.332224D+01 -0.451489D+01 -0.196913D+00
      4   0.905620D+01 -0.621039D+01  0.449714D+01  0.581284D+01 -0.171834D+00
      5  -0.209669D+01 -0.255976D+02 -0.161108D+01  0.735554D+00 -0.737861D+00
      6   0.284101D+01 -0.933761D+01  0.768704D+00  0.555762D+01 -0.133832D-02
                76            77            78            79            80 
      1   0.224228D+02  0.275522D+02  0.674776D+00 -0.893019D+01 -0.180338D+01
      2  -0.176606D+02 -0.291950D+02 -0.757753D+01  0.614330D+01 -0.802283D+01
      3  -0.476226D+01  0.164278D+01  0.690276D+01  0.278690D+01  0.982621D+01
      4   0.160891D+01 -0.572015D+01  0.765245D-01  0.365851D+00  0.227910D+01
      5   0.199748D+01  0.766695D+00 -0.586339D+01 -0.175499D+01 -0.900876D+01
      6   0.468827D+01 -0.573580D+01 -0.198361D+02 -0.101838D+02 -0.366504D+02
                81            82            83            84            85 
      1   0.257570D+02  0.246632D+02  0.150414D+02 -0.228645D+00  0.102310D+02
      2  -0.244856D+02 -0.459938D+01  0.108937D+01  0.507545D-01  0.718171D+01
      3  -0.127143D+01 -0.200638D+02 -0.161307D+02  0.177890D+00 -0.174128D+02
      4  -0.691418D+01  0.367959D+02  0.326275D+02 -0.109255D+01  0.366873D+02
      5   0.697633D+01 -0.367470D+00 -0.660331D+00  0.588297D+01  0.825909D+00
      6   0.152475D+02 -0.113783D+01 -0.117378D+01  0.341626D+01 -0.208751D+00
                86            87            88            89            90 
      1   0.439187D+01  0.260168D+00 -0.174791D+01 -0.124711D+01 -0.188601D+00
      2   0.171908D+02 -0.410498D+00  0.976059D+00  0.925469D+00  0.102604D+01
      3  -0.215827D+02  0.150330D+00  0.771846D+00  0.321639D+00 -0.837442D+00
      4   0.456008D+02 -0.349544D-02 -0.138749D+01 -0.415460D+00  0.204953D+01
      5   0.837090D+00  0.501061D+01  0.131449D+01  0.747320D+00 -0.327568D+00
      6  -0.611027D+00  0.545879D+01  0.100988D+01  0.183980D+01 -0.782171D-01
                91            92            93            94            95 
      1   0.972020D+02 -0.952005D+01 -0.847991D+01 -0.969646D+01  0.100405D+02
      2  -0.567855D+02  0.513963D+01  0.602906D+01  0.479497D+01 -0.498004D+01
      3  -0.404165D+02  0.438042D+01  0.245085D+01  0.490149D+01 -0.506045D+01
      4  -0.137328D+02  0.971309D+01  0.120006D+01  0.162576D+02 -0.479069D+01
      5  -0.124469D+02  0.121393D+01  0.114243D+02  0.226991D+01 -0.162450D+01
      6   0.145207D+00 -0.653508D+00 -0.699582D+00 -0.117662D+01  0.247469D+00
                96            97            98            99           100 
      1   0.133384D+01 -0.118369D+02  0.153718D+01  0.320470D+01  0.562961D+01
      2  -0.974072D+00  0.726177D+01 -0.848205D+00 -0.214330D+01  0.211614D+01
      3  -0.359766D+00  0.457512D+01 -0.688974D+00 -0.106140D+01 -0.774574D+01
      4  -0.168880D+01  0.266991D+01 -0.130805D+01 -0.106011D+01 -0.174841D+02
      5  -0.147350D+01  0.374271D+01 -0.350667D+00 -0.233595D+01 -0.197506D+01
      6   0.173883D+01 -0.432999D+00  0.947201D+00  0.397348D+00  0.176645D+01
               101           102           103           104           105 
      1  -0.438985D+01 -0.501112D+00 -0.196595D+00 -0.140849D+02 -0.160182D+01
      2  -0.402249D+01 -0.130244D-02 -0.961826D+01  0.339328D+02  0.231392D+01
      3   0.841234D+01  0.502415D+00  0.981486D+01 -0.198479D+02 -0.712099D+00
      4   0.209108D+02  0.265673D+01  0.243045D+02 -0.456897D+02 -0.450159D+01
      5   0.229419D+01  0.355946D+01  0.214729D+01 -0.344745D+01 -0.489410D+01
      6  -0.213845D+01 -0.243267D+01 -0.244214D+01  0.613998D+01  0.737985D+01
               106           107           108           109           110 
      1  -0.747218D+00 -0.904456D+00 -0.178015D+01 -0.478577D+01  0.774377D+01
      2  -0.758120D+00  0.299086D+01  0.237821D+01  0.676625D+01 -0.968136D+01
      3   0.150534D+01 -0.208640D+01 -0.598060D+00 -0.198048D+01  0.193758D+01
      4   0.411969D+01 -0.593650D+01 -0.167919D+01 -0.322141D+01  0.755939D+01
      5   0.123288D+01 -0.102845D+01 -0.896670D+00  0.287156D+00 -0.101377D-02
      6  -0.128742D+01  0.324183D+01  0.139020D+01  0.122501D+01 -0.225819D+01
               111           112           113           114           115 
      1   0.149914D+01  0.614815D+01 -0.358773D+02 -0.399239D+01  0.116373D+01
      2  -0.104791D+01 -0.809059D+01  0.502556D+02  0.394802D+01 -0.151532D+01
      3  -0.451223D+00  0.194244D+01 -0.143783D+02  0.443670D-01  0.351585D+00
      4   0.337045D+00  0.609861D+01  0.291624D+01  0.550437D+00  0.330081D+00
      5   0.888656D+00  0.404952D-01  0.176290D+01  0.631482D+00  0.647778D+00
      6  -0.172835D+01 -0.116710D+01  0.747974D+01  0.762496D+01 -0.282580D+00
               116           117           118           119           120 
      1  -0.368757D+01 -0.146682D+01  0.447183D+01 -0.707385D+00 -0.378544D+01
      2   0.462966D+01  0.163033D+01 -0.755161D+01  0.190716D+00  0.570811D+01
      3  -0.942087D+00 -0.163509D+00  0.307977D+01  0.516669D+00 -0.192267D+01
      4  -0.497704D+00 -0.144097D+01 -0.379262D+01  0.659992D+01  0.165204D+01
      5  -0.612382D+00 -0.530621D+00 -0.105071D+02  0.107566D+01  0.136099D+02
      6   0.262039D+01  0.141319D+01  0.194605D+01 -0.605183D-01 -0.150145D+01
               121           122           123           124           125 
      1  -0.426645D+00 -0.144980D+01 -0.408384D+00 -0.191838D+01 -0.894629D+00
      2  -0.479389D+00 -0.698248D+00  0.237464D+00  0.126072D+02 -0.108092D+01
      3   0.906034D+00  0.214804D+01  0.170920D+00 -0.106888D+02  0.197555D+01
      4   0.934049D+01 -0.271057D+01 -0.399411D+01  0.442485D+01 -0.573470D+01
      5   0.441168D+00 -0.395844D+01 -0.139461D+01  0.219520D+02 -0.351134D+01
      6  -0.154131D+01  0.113851D+01  0.701917D+01 -0.382779D+01  0.511842D+01
               126           127           128           129           130 
      1  -0.122068D+02 -0.556754D+02  0.832899D+01  0.425931D+01 -0.289473D+01
      2  -0.214832D+02  0.317390D+02 -0.121205D+02 -0.444920D+01 -0.414587D+01
      3   0.336901D+02  0.239364D+02  0.379149D+01  0.189891D+00  0.704059D+01
      4  -0.347781D+01  0.124989D+02  0.136268D+02 -0.326519D+01  0.205304D+02
      5  -0.368880D+02  0.479679D+01 -0.135525D+01  0.788024D+01 -0.353249D+01
      6   0.864666D+01 -0.638376D+01  0.233531D+01 -0.533985D+01  0.404137D+01
               131           132           133           134           135 
      1   0.227597D+02  0.529911D+01  0.926866D+01  0.312976D+01  0.153758D+02
      2  -0.255388D+02 -0.110093D+02 -0.170403D+01 -0.123044D+02  0.166010D+00
      3   0.277914D+01  0.571020D+01 -0.756462D+01  0.917462D+01 -0.155418D+02
      4   0.344468D+01  0.120833D+02 -0.894723D+01  0.139909D+02 -0.273687D+01
      5   0.143482D+02  0.889587D+00  0.720426D+01  0.173917D+01 -0.249364D+02
      6  -0.127241D+02 -0.444285D-01 -0.413387D+01 -0.121064D+01  0.167772D+02
               136           137           138           139           140 
      1   0.481626D+02  0.134851D+02 -0.900145D+01  0.110906D+02  0.552120D+01
      2  -0.216647D+02 -0.295475D+01  0.413231D+01 -0.152673D+01  0.266257D+01
      3  -0.264979D+02 -0.105303D+02  0.486915D+01 -0.956383D+01 -0.818377D+01
      4   0.338807D+02  0.198460D+02 -0.655066D+01  0.192325D+02  0.135044D+02
      5  -0.135700D+02 -0.434156D+01  0.107010D+02 -0.410635D+01 -0.495023D+01
      6  -0.567106D+01 -0.294319D+01  0.445431D+01 -0.293425D+01 -0.307407D+01
               141           142           143           144           145 
      1  -0.142318D+01 -0.153839D+02 -0.308680D+01  0.675959D+01  0.684296D+01
      2  -0.646569D+00  0.788430D+01 -0.128647D+00 -0.578174D+01 -0.606719D+01
      3   0.206975D+01  0.749958D+01  0.321545D+01 -0.977848D+00 -0.775770D+00
      4  -0.537930D+01 -0.121509D+02 -0.948755D+01  0.752383D+01  0.521757D+01
      5   0.342701D+01  0.143906D+02  0.538168D+01 -0.676972D+01  0.764973D+01
      6   0.312885D+01  0.655230D+01  0.373794D+01 -0.337271D+01  0.227557D+01
               146           147           148           149           150 
      1   0.324450D+01  0.447613D+01  0.414838D+00 -0.109286D+01 -0.159281D+01
      2  -0.187175D+01 -0.472573D+01  0.118662D+01 -0.108301D+01  0.238946D+01
      3  -0.137274D+01  0.249605D+00 -0.160146D+01  0.217586D+01 -0.796651D+00
      4   0.269348D+01  0.209917D+01  0.359984D+01 -0.115706D+01  0.343380D+01
      5   0.545760D+00  0.929331D+01 -0.143646D+01  0.334539D+01 -0.204288D+01
      6   0.922289D+00  0.193794D+01  0.106913D+01  0.997693D+00  0.445613D+01
               151           152           153           154           155 
      1   0.823297D+01 -0.215207D+01 -0.157514D+01  0.584427D+00  0.436923D+00
      2  -0.111984D+02  0.184364D+01 -0.181415D+02 -0.120232D+01 -0.186722D+00
      3   0.296548D+01  0.308439D+00  0.197166D+02  0.617888D+00 -0.250200D+00
      4   0.474891D+01  0.759777D+01  0.661527D+01  0.302990D+01  0.625427D+01
      5   0.181496D+02  0.343901D+01  0.336619D+02 -0.211461D+01 -0.333027D+01
      6   0.619373D+01  0.487775D+01  0.147246D+02 -0.575470D+01 -0.173536D+01
               156           157           158           159           160 
      1  -0.508126D+00 -0.486138D+01 -0.226145D+02  0.110234D+02  0.404300D+01
      2   0.316088D-03  0.600330D+01  0.258720D+02 -0.100020D+02 -0.307005D+01
      3   0.507810D+00 -0.114192D+01 -0.325748D+01 -0.102146D+01 -0.972955D+00
      4  -0.494051D+01  0.518409D+01  0.816396D+01 -0.402047D+01 -0.920045D+01
      5   0.548670D+01 -0.214387D+01 -0.461617D+01  0.420727D+01  0.673336D+01
      6   0.154195D+01 -0.407039D+01 -0.173198D+02  0.172332D+02  0.886130D+01
               161           162           163           164           165 
      1   0.221170D+02 -0.243897D+02 -0.159004D+00  0.384980D+01  0.222645D+01
      2  -0.181709D+02  0.117874D+02  0.212566D+01 -0.437935D+01 -0.174277D+01
      3  -0.394604D+01  0.126023D+02 -0.196665D+01  0.529550D+00 -0.483675D+00
      4  -0.897070D+01  0.682192D+01  0.101597D+01  0.710490D+01  0.343181D+01
      5   0.909028D+01 -0.106164D+02  0.994997D+00  0.162355D+01  0.236235D+01
      6   0.311027D+02 -0.330992D+02  0.443216D+01 -0.129086D+01 -0.870990D+00
               166           167           168           169           170 
      1  -0.292521D+01 -0.345221D+02 -0.106714D+02  0.441734D+00 -0.188714D+02
      2   0.464462D+01  0.498903D+02  0.150294D+02  0.122050D+01  0.249503D+02
      3  -0.171941D+01 -0.153681D+02 -0.435805D+01 -0.166223D+01 -0.607885D+01
      4   0.695155D+01  0.100939D+02  0.291942D+01  0.544828D+01  0.533955D+01
      5   0.165813D+01  0.346838D+01  0.313753D+01  0.336778D+01  0.496245D+01
      6   0.178414D+01  0.206776D+02  0.155397D+02  0.382137D+01  0.238404D+02
               171           172           173           174           175 
      1  -0.151587D+02  0.321482D+01 -0.240188D+01  0.549361D+01  0.102826D+01
      2   0.138464D+02 -0.364311D+01  0.286405D+01 -0.885314D+00 -0.745153D+00
      3   0.131239D+01  0.428283D+00 -0.462177D+00 -0.460830D+01 -0.283103D+00
      4   0.394534D+01 -0.172315D+00 -0.205443D+01 -0.163132D+01 -0.749832D+00
      5   0.222698D+01  0.177977D+01  0.207603D+00 -0.519229D+00  0.676041D+00
      6   0.145005D+02 -0.155136D+01 -0.162740D+01  0.339940D+01 -0.543865D-01
               176           177           178           179           180 
      1  -0.566171D+01  0.205465D+01  0.662340D+01  0.373055D+01 -0.172896D+02
      2   0.397738D+01 -0.227764D+01 -0.381368D+01 -0.290727D+01 -0.905540D+01
      3   0.168434D+01  0.222994D+00 -0.280972D+01 -0.823270D+00  0.263450D+02
      4  -0.104095D+01  0.219182D+01 -0.675374D+01  0.759631D+01 -0.315564D+01
      5   0.180666D+01 -0.468462D+00  0.782666D+01 -0.619936D+01  0.318894D+02
      6  -0.192691D+01  0.575095D+01 -0.215506D+01  0.913165D+01 -0.248159D+02
               181           182           183           184           185 
      1   0.840257D+02 -0.799685D+01 -0.330793D+01  0.570634D+01  0.396902D+01
      2  -0.431595D+02  0.570546D+00  0.133290D+01 -0.566788D+01  0.435353D+00
      3  -0.408661D+02  0.742630D+01  0.197503D+01 -0.384525D-01 -0.440437D+01
      4  -0.354252D+02  0.160730D+02  0.694123D+00  0.751729D+01 -0.295234D+01
      5   0.194493D+01 -0.556695D+00  0.104624D+02  0.617782D+00 -0.159631D+01
      6   0.172278D+01  0.791323D+00 -0.403588D+01  0.243757D+00  0.115916D+01
               186           187           188           189           190 
      1  -0.718767D+00 -0.756140D+01 -0.281313D+00  0.563308D+01  0.227516D+01
      2   0.124617D+01  0.395446D+01  0.199458D+01 -0.476257D+01  0.113800D+01
      3  -0.527406D+00  0.360694D+01 -0.171327D+01 -0.870516D+00 -0.341316D+01
      4  -0.174044D+01  0.395586D+01 -0.372038D+01 -0.271262D+01 -0.128334D+01
      5   0.967953D+00  0.106000D+02 -0.155459D+01 -0.675888D+00 -0.144365D+01
      6   0.636195D+00 -0.323681D+01  0.171889D+01 -0.511152D+00  0.203156D+01
               191           192           193           194           195 
      1  -0.792902D+01 -0.226582D+01 -0.557797D+01 -0.266401D+02 -0.565109D+01
      2   0.909866D+01  0.216970D+01  0.172020D+01  0.463527D+02  0.931282D+01
      3  -0.116963D+01  0.961199D-01  0.385777D+01 -0.197126D+02 -0.366173D+01
      4  -0.354550D+00  0.131916D+01  0.899924D+01 -0.315522D+02 -0.586649D+01
      5  -0.320509D+00 -0.130204D+01 -0.385438D+00 -0.774919D+01 -0.665740D+01
      6   0.596749D+00  0.260912D+01 -0.170145D+00  0.712149D+01  0.891746D+01
               196           197           198 
      1  -0.428851D+01 -0.659457D+01 -0.720652D+01
      2   0.144107D+01  0.114536D+02  0.591108D+01
      3   0.284744D+01 -0.485907D+01  0.129544D+01
      4   0.513063D+01 -0.105525D+02 -0.414263D+01
      5   0.730591D+00 -0.575877D+01 -0.235331D+01
      6   0.263172D+00  0.874276D+01  0.473664D+01
 Leave Link  716 at Sat Jul 24 18:02:39 2021, MaxMem= 16106127360 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.143405D+03  0.188449D+01 -0.350988D+01
      2   0.188449D+01  0.125863D+03  0.154811D+01
      3  -0.350988D+01  0.154811D+01  0.787830D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.284914D+00  0.108922D+01  0.176556D+01
      2   0.102017D+02 -0.561708D+01  0.131501D+02
      3   0.409519D+00  0.326586D+02  0.523191D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.755112D+02 -0.151810D+02  0.143863D+02
      2   0.389231D+02  0.149702D+01 -0.137524D+02
      3   0.365881D+02  0.136840D+02 -0.633876D+00
      4  -0.270595D+02 -0.331828D+02 -0.104273D+02
      5   0.152626D+02 -0.135515D+02  0.334727D+02
      6  -0.710260D+01 -0.127300D+01  0.918973D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.599693D-01 -0.123600D+01 -0.644856D+00 -0.488876D+01 -0.122522D+00
      2  -0.123600D+01 -0.254160D+01 -0.618473D+00 -0.122522D+00 -0.231463D+01
      3  -0.644856D+00 -0.618473D+00 -0.122703D+01  0.610572D+00  0.399854D+00
                 6             7             8             9            10 
      1   0.610572D+00 -0.120278D+01 -0.533642D-01 -0.354128D+01 -0.515320D+01
      2   0.399854D+00 -0.533642D-01  0.487349D+00 -0.377797D+01  0.870876D+00
      3  -0.193040D+01 -0.354128D+01 -0.377797D+01  0.141273D+00 -0.455259D+00
                11            12            13            14            15 
      1   0.870876D+00 -0.455259D+00  0.131616D+01  0.215572D+01  0.302016D+00
      2  -0.254568D+01 -0.725372D-01  0.215572D+01  0.220878D+01 -0.362379D+00
      3  -0.725372D-01 -0.200872D+01  0.302016D+00 -0.362379D+00  0.538028D+00
                16            17            18            19            20 
      1  -0.745701D+00  0.569092D+00 -0.526324D+01  0.995814D+00 -0.297089D+01
      2   0.569092D+00  0.235302D+00  0.724988D+00 -0.297089D+01 -0.379592D+01
      3  -0.526324D+01  0.724988D+00  0.124673D+01 -0.311496D+00  0.572048D+00
                21            22            23            24            25 
      1  -0.311496D+00  0.499426D+01 -0.444056D+00 -0.125813D+00  0.130743D+00
      2   0.572048D+00 -0.444056D+00  0.741059D+00 -0.366380D+00  0.947070D+00
      3  -0.439645D+00 -0.125813D+00 -0.366380D+00  0.178144D+01 -0.245429D+01
                26            27            28            29            30 
      1   0.947070D+00 -0.245429D+01  0.721183D+00  0.282112D+01 -0.222899D+00
      2  -0.512978D+00  0.355879D+01  0.282112D+01  0.706217D+01 -0.801100D-01
      3   0.355879D+01  0.127914D+01 -0.222899D+00 -0.801100D-01  0.117730D+01
                31            32            33            34            35 
      1   0.114570D+02  0.433154D+01 -0.922218D+00  0.164387D+01 -0.280384D+00
      2   0.433154D+01  0.629397D+01 -0.451419D+00 -0.280384D+00 -0.293222D+00
      3  -0.922218D+00 -0.451419D+00  0.118785D+01  0.169521D+01  0.298286D+01
                36            37            38            39            40 
      1   0.169521D+01  0.148907D+02 -0.180243D+01 -0.182718D+01 -0.576181D+01
      2   0.298286D+01 -0.180243D+01  0.366877D+01  0.146536D+00 -0.331848D+01
      3   0.799629D-01 -0.182718D+01  0.146536D+00  0.168204D+01 -0.130726D+00
                41            42            43            44            45 
      1  -0.331848D+01 -0.130726D+00 -0.134566D+01 -0.410136D+00  0.323376D+01
      2  -0.572573D+00  0.574314D+00 -0.410136D+00  0.390339D+00 -0.829173D+00
      3   0.574314D+00  0.172267D+00  0.323376D+01 -0.829173D+00 -0.126553D+01
                46            47            48            49            50 
      1  -0.154000D+01  0.330676D+01  0.279419D+00 -0.555724D+01  0.811253D+00
      2   0.330676D+01  0.215881D+01 -0.419532D+00  0.811253D+00 -0.201785D+01
      3   0.279419D+00 -0.419532D+00  0.583502D+00  0.229524D+00  0.317045D+00
                51            52            53            54            55 
      1   0.229524D+00  0.585073D-01 -0.529685D+00  0.461578D+00 -0.394047D+01
      2   0.317045D+00 -0.529685D+00  0.124394D+00 -0.413155D+01  0.228817D+01
      3  -0.183342D+01  0.461578D+00 -0.413155D+01 -0.119927D+01  0.102750D+01
                56            57            58            59            60 
      1   0.228817D+01  0.102750D+01  0.287844D+01 -0.315422D+01  0.269131D+00
      2  -0.226578D+01  0.175693D+00 -0.315422D+01 -0.215851D+01 -0.151136D+01
      3   0.175693D+00 -0.170633D+01  0.269131D+00 -0.151136D+01  0.571499D+00
                61            62            63            64            65 
      1   0.308483D+01  0.161142D+00 -0.333766D+01 -0.401903D+01 -0.358746D+01
      2   0.161142D+00 -0.212711D+01  0.368035D+00 -0.358746D+01  0.958769D+00
      3  -0.333766D+01  0.368035D+00  0.781607D+01  0.207669D+01  0.648772D+00
                66            67            68            69            70 
      1   0.207669D+01 -0.373184D+01  0.847481D+00  0.810780D+00  0.332827D+01
      2   0.648772D+00  0.847481D+00  0.266504D+01  0.137959D+01  0.157241D+01
      3  -0.146515D+01  0.810780D+00  0.137959D+01  0.358517D+00 -0.232766D+01
                71            72            73            74            75 
      1   0.157241D+01 -0.232766D+01 -0.211512D+01  0.946003D+00 -0.202630D+00
      2   0.158280D+01  0.147362D+00  0.946003D+00 -0.211650D+01  0.814732D+00
      3   0.147362D+00 -0.576971D+01 -0.202630D+00  0.814732D+00 -0.283722D-01
                76            77            78            79            80 
      1   0.103969D+00 -0.379629D+01  0.888679D+00  0.501941D+00  0.171308D+01
      2  -0.379629D+01 -0.763656D+01 -0.562571D+00  0.171308D+01 -0.285419D-02
      3   0.888679D+00 -0.562571D+00 -0.337985D+01 -0.141998D+01 -0.570654D+01
                81            82            83            84            85 
      1  -0.141998D+01 -0.551331D+01 -0.413574D+01  0.181726D+00 -0.402001D+01
      2  -0.570654D+01 -0.413574D+01 -0.360131D+01  0.179345D+00 -0.464398D+01
      3   0.315277D+01  0.181726D+00  0.179345D+00 -0.609012D+00 -0.495927D-01
                86            87            88            89            90 
      1  -0.464398D+01 -0.495927D-01  0.331562D+00  0.149217D+00  0.207237D-01
      2  -0.657571D+01  0.471269D-02  0.149217D+00 -0.185852D-01 -0.123354D-02
      3   0.471269D-02 -0.721186D+00  0.207237D-01 -0.123354D-02 -0.953301D-02
                91            92            93            94            95 
      1  -0.130096D+02  0.133999D+01  0.136039D+01  0.148288D+01 -0.175067D+01
      2   0.133999D+01 -0.878195D+00 -0.140668D+00 -0.175067D+01  0.560473D+00
      3   0.136039D+01 -0.140668D+00 -0.108820D+01 -0.272896D+00  0.198447D+00
                96            97            98            99           100 
      1  -0.272896D+00  0.170936D+01 -0.309834D+00 -0.135314D+00 -0.218851D+01
      2   0.198447D+00 -0.309834D+00  0.183608D+00  0.514183D-01  0.240808D+01
      3   0.181703D+00 -0.135314D+00  0.514183D-01  0.153093D+00  0.350730D+00
               101           102           103           104           105 
      1   0.240808D+01  0.350730D+00  0.237681D+01 -0.362928D+01 -0.380458D+00
      2  -0.263185D+01 -0.390706D+00 -0.362928D+01  0.900560D+01  0.930306D+00
      3  -0.390706D+00 -0.439239D+00 -0.380458D+00  0.930306D+00  0.991617D+00
               106           107           108           109           110 
      1   0.386371D+00 -0.558333D+00 -0.120003D+00  0.122900D+01 -0.169026D+01
      2  -0.558333D+00  0.115842D+01  0.189635D+00 -0.169026D+01  0.194334D+01
      3  -0.120003D+00  0.189635D+00  0.104441D+00 -0.154158D+00  0.300654D+00
               111           112           113           114           115 
      1  -0.154158D+00 -0.135378D+01  0.168548D+01  0.135853D+00 -0.204183D+00
      2   0.300654D+00  0.168548D+01 -0.921194D+01 -0.931978D+00  0.283594D+00
      3   0.228750D+00  0.135853D+00 -0.931978D+00 -0.929838D+00 -0.582031D-01
               116           117           118           119           120 
      1   0.283594D+00 -0.582031D-01  0.264173D+01 -0.607012D+00 -0.191812D+01
      2  -0.948979D+00 -0.674613D-01 -0.607012D+00  0.739645D+00  0.116687D+00
      3  -0.674613D-01 -0.144595D+00 -0.191812D+01  0.116687D+00  0.173159D+01
               121           122           123           124           125 
      1  -0.100906D+01  0.151530D+01  0.124312D+00 -0.541014D+01  0.538594D+00
      2   0.151530D+01 -0.351453D+00 -0.955677D+00  0.538594D+00 -0.118970D+01
      3   0.124312D+00 -0.955677D+00 -0.345260D+00  0.366154D+01 -0.675999D+00
               126           127           128           129           130 
      1   0.366154D+01 -0.718100D+01 -0.771157D+00  0.130930D+01 -0.365527D+01
      2  -0.675999D+00 -0.771157D+00  0.283220D+01 -0.316611D+00  0.305579D+01
      3  -0.891309D+01  0.130930D+01 -0.316611D+00  0.155146D+01 -0.451463D+00
               131           132           133           134           135 
      1   0.305579D+01 -0.451463D+00  0.204431D+01 -0.105045D+01  0.107620D+01
      2   0.272094D+01  0.262988D+01 -0.105045D+01  0.303871D+01  0.676433D+00
      3   0.262988D+01  0.235841D+00  0.107620D+01  0.676433D+00 -0.598462D+01
               136           137           138           139           140 
      1   0.902728D+01  0.321292D+01 -0.175320D+01  0.285720D+01  0.207908D+01
      2   0.321292D+01  0.198830D+01 -0.620125D+00  0.207908D+01  0.165125D+01
      3  -0.175320D+01 -0.620125D+00  0.138185D+01 -0.591801D+00 -0.763276D+00
               141           142           143           144           145 
      1  -0.591801D+00 -0.377836D+01 -0.130974D+01  0.203016D+01  0.158391D+01
      2  -0.763276D+00 -0.130974D+01 -0.133904D+01  0.795161D+00  0.548535D+00
      3   0.502119D+00  0.203016D+01  0.795161D+00 -0.746017D+00  0.127300D+01
               146           147           148           149           150 
      1   0.548535D+00  0.127300D+01  0.159039D+00  0.422541D+00 -0.184329D+00
      2   0.400230D-01  0.135261D+00  0.422541D+00 -0.220391D+00  0.666905D+00
      3   0.135261D+00  0.970835D+00 -0.184329D+00  0.666905D+00 -0.379805D+00
               151           152           153           154           155 
      1   0.227562D+01  0.580374D-01  0.287038D+01  0.106550D+01  0.768511D+00
      2   0.580374D-01  0.147322D+01  0.621305D+00  0.768511D+00  0.257002D+00
      3   0.287038D+01  0.621305D+00  0.710969D+01 -0.938268D+00 -0.314711D+00
               156           157           158           159           160 
      1  -0.938268D+00  0.948199D+00  0.170027D+01 -0.577633D+00 -0.280080D+01
      2  -0.314711D+00  0.170027D+01  0.536208D+01 -0.251727D+01 -0.202668D+01
      3   0.320048D+00 -0.577633D+00 -0.251727D+01  0.230718D+01  0.135123D+01
               161           162           163           164           165 
      1  -0.202668D+01  0.135123D+01 -0.210710D+00  0.635394D+00  0.699986D+00
      2  -0.515882D+01  0.469862D+01  0.635394D+00 -0.741208D+00 -0.178863D+00
      3   0.469862D+01 -0.598356D+01  0.699986D+00 -0.178863D+00 -0.132695D+00
               166           167           168           169           170 
      1   0.140209D+01  0.127194D+01  0.193670D+00  0.106786D+01  0.326779D+00
      2   0.127194D+01  0.861607D+01  0.260987D+01  0.326779D+00  0.456837D+01
      3   0.193670D+00  0.260987D+01  0.206258D+01  0.525904D+00  0.334405D+01
               171           172           173           174           175 
      1   0.525904D+00  0.156047D+00  0.972238D-01  0.607187D+00  0.641832D+00
      2   0.334405D+01  0.972238D-01 -0.729795D+00  0.225293D+00 -0.287445D+00
      3   0.204171D+01  0.607187D+00  0.225293D+00 -0.113762D+01  0.953263D-01
               176           177           178           179           180 
      1  -0.287445D+00  0.953263D-01  0.158606D+01 -0.555271D+00  0.673851D+00
      2  -0.489501D+00  0.590195D+00 -0.555271D+00  0.156283D+01 -0.137003D+01
      3   0.590195D+00 -0.768397D-01  0.673851D+00 -0.137003D+01  0.739106D+01
               181           182           183           184           185 
      1   0.123688D+02 -0.187966D+01 -0.280010D+00  0.725827D+00  0.793309D+00
      2  -0.187966D+01  0.148809D+01 -0.806915D-01  0.793309D+00 -0.344732D+00
      3  -0.280010D+00 -0.806915D-01  0.112927D+01  0.981243D-01 -0.350273D+00
               186           187           188           189           190 
      1   0.981243D-01 -0.150657D+01  0.326090D+00  0.114148D+01  0.130938D+00
      2  -0.350273D+00  0.326090D+00 -0.732647D+00 -0.232100D+00 -0.562967D+00
      3   0.132086D+00  0.114148D+01 -0.232100D+00  0.909493D-01 -0.457859D+00
               191           192           193           194           195 
      1  -0.562967D+00 -0.457859D+00 -0.136591D+01  0.477248D+00 -0.710594D-01
      2  -0.128928D+01 -0.819913D-01  0.477248D+00 -0.793141D+01 -0.152853D+01
      3  -0.819913D-01 -0.474645D+00 -0.710594D-01 -0.152853D+01 -0.142612D+01
               196           197           198 
      1  -0.115511D+01  0.438774D+00 -0.844030D-01
      2   0.438774D+00 -0.248141D+01 -0.136659D+01
      3  -0.844030D-01 -0.136659D+01 -0.590959D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.134640D+01 -0.159127D+00 -0.278166D+01  0.125510D+01  0.327707D-02
      2   0.580060D+00  0.110588D+01  0.265877D+01 -0.480579D+00 -0.503004D+00
      3  -0.774606D+01 -0.111153D+02 -0.241207D+00  0.811408D+01 -0.281510D+01
                 6             7             8             9            10 
      1  -0.135105D+01 -0.822227D+01  0.348174D+01  0.149137D+01  0.460201D+00
      2   0.467910D+01 -0.247794D+01  0.118674D+02  0.891074D+00  0.705459D-01
      3  -0.119230D+00  0.116015D+01  0.190284D+01 -0.553874D+01  0.438992D+01
                11            12            13            14            15 
      1   0.648045D+00  0.409728D+00  0.111148D+01 -0.107877D+01  0.120302D+01
      2  -0.145289D+00  0.617002D+01 -0.204328D+01 -0.365149D+00 -0.848496D+00
      3  -0.782508D+01 -0.181289D+00  0.116786D+02  0.420356D+01 -0.143052D+01
                16            17            18            19            20 
      1   0.211254D+01  0.121247D+02  0.771083D+00  0.100707D+01 -0.954400D+00
      2   0.860207D+01 -0.331875D+01 -0.248002D+01  0.463682D+00  0.171595D-02
      3   0.124468D+01 -0.275208D+00  0.251701D+01 -0.278272D+01 -0.164707D+02
                21            22            23            24            25 
      1  -0.160246D+00 -0.101299D+01  0.284109D+00 -0.172262D+01  0.452423D+01
      2   0.153169D+00  0.117629D+01  0.153841D+01 -0.457225D+01 -0.912664D+01
      3  -0.576870D+00 -0.328022D+00  0.608101D+00 -0.350285D+00  0.318753D+00
                26            27            28            29            30 
      1   0.213268D+01  0.702905D-02 -0.168312D+01  0.175828D+01 -0.483255D+00
      2  -0.103326D+02 -0.822933D+00 -0.291958D+01 -0.146060D+01 -0.757506D+00
      3   0.884823D+00  0.553906D+01 -0.416675D+01  0.523354D+01  0.166339D+01
                31            32            33            34            35 
      1   0.174885D+01  0.726668D+00 -0.997033D+00 -0.321805D+01  0.649600D+01
      2   0.182127D+01 -0.173784D+01 -0.152804D+01 -0.146530D+02 -0.117623D+01
      3   0.970776D+01  0.215816D+02 -0.128610D+01  0.328468D+01 -0.151282D+01
                36            37            38            39            40 
      1   0.249818D+00  0.500155D+00  0.171566D+01  0.116565D+01  0.217849D+01
      2   0.115573D+01 -0.161100D+01 -0.938342D+00 -0.872339D+00 -0.988027D+00
      3   0.375814D+01 -0.821843D+01  0.113418D+02  0.139398D+01  0.100778D+02
                41            42            43            44            45 
      1  -0.321672D+00 -0.612784D+00  0.384991D+01  0.103473D+02 -0.642850D-01
      2   0.402305D+00  0.569639D+00 -0.124108D+02  0.337541D+00  0.117213D+01
      3  -0.655260D+01 -0.141701D+01 -0.757799D+00 -0.546294D+01 -0.266701D+01
                46            47            48            49            50 
      1   0.682954D+00 -0.565608D+00  0.237838D+01 -0.337255D+00 -0.878145D+00
      2  -0.268969D+01  0.181619D+01 -0.122725D+01 -0.124205D+00  0.648484D+00
      3   0.106047D+02 -0.460953D+01 -0.244961D+01  0.725909D+01 -0.731908D+01
                51            52            53            54            55 
      1  -0.266725D+01  0.449024D+01  0.253425D+00 -0.161894D+01 -0.109294D+01
      2   0.204575D+01 -0.142060D+02  0.182520D+01  0.233918D+01  0.160445D-01
      3  -0.124784D+00 -0.406382D+01  0.132825D+01 -0.567857D+01 -0.234374D+01
                56            57            58            59            60 
      1   0.177585D+01 -0.100933D+01  0.278112D+01 -0.885879D+00 -0.126087D+01
      2   0.831695D+00 -0.308916D+00  0.135784D+01 -0.534231D+01  0.848023D+00
      3  -0.337668D+01 -0.112501D+01  0.115058D+02  0.763414D+01  0.417760D+01
                61            62            63            64            65 
      1  -0.336841D+01  0.623400D+01  0.295775D+01 -0.316306D+01 -0.114070D+01
      2  -0.104750D+02  0.879577D+00  0.118453D+02  0.669428D+01  0.321423D+01
      3  -0.338464D+01  0.692713D+01  0.209523D+01  0.805253D+01 -0.119701D+02
                66            67            68            69            70 
      1   0.174906D+01 -0.180348D+01 -0.331593D+01 -0.241620D+01  0.364765D+01
      2  -0.188431D+01  0.373660D+01  0.330649D+01  0.353124D+00 -0.110928D+02
      3   0.153845D+01 -0.803256D+01 -0.550428D+01 -0.333826D+01  0.781049D+00
                71            72            73            74            75 
      1   0.192934D+01  0.551344D+01  0.628517D+00 -0.246424D+01 -0.396365D+00
      2  -0.119810D+01 -0.115799D+02 -0.128181D+01  0.897230D+00  0.181493D+01
      3  -0.422611D+01 -0.311419D+01 -0.709608D+01  0.847727D+00 -0.150551D+01
                76            77            78            79            80 
      1  -0.661640D+00  0.459036D+01  0.654605D+01  0.542696D+01  0.205378D+02
      2   0.181848D+00  0.195082D+00 -0.222477D+01 -0.534746D+01 -0.522906D+01
      3   0.129350D+02 -0.588715D+01  0.373714D+01 -0.751929D+00  0.738811D+01
                81            82            83            84            85 
      1  -0.594710D+01  0.344666D+00  0.391909D+00 -0.243650D+01 -0.168323D+00
      2   0.250907D+01 -0.638053D+00 -0.723077D+00  0.313762D+01  0.209609D-01
      3   0.116152D+01 -0.121098D+01 -0.459820D+01  0.295155D+00 -0.342980D+01
                86            87            88            89            90 
      1  -0.459775D-01 -0.321494D+01  0.118731D+01  0.150109D+01  0.300720D-01
      2  -0.168388D+00  0.324267D+01 -0.113339D+01 -0.109813D+01 -0.861768D-01
      3  -0.107015D+02  0.122901D+00 -0.385315D+00 -0.754415D+00  0.208395D+00
                91            92            93            94            95 
      1   0.541098D-01 -0.453972D+00  0.603505D+00 -0.221254D+00  0.141305D+00
      2  -0.191868D+01  0.209214D+00  0.639883D+01  0.672887D+00 -0.417808D+00
      3   0.230047D+01 -0.540916D+01 -0.282432D+00 -0.430277D+01  0.191758D+01
                96            97            98            99           100 
      1  -0.380214D+00 -0.496351D+00  0.259460D+00 -0.865139D-01 -0.909031D-01
      2  -0.971010D+00 -0.238659D+01  0.416340D+00 -0.591005D+00 -0.373487D+00
      3   0.579862D+00 -0.467158D+00  0.650396D+00 -0.105101D+00  0.100908D+01
               101           102           103           104           105 
      1   0.203696D+00  0.153939D+01  0.283940D-01  0.429873D+00 -0.431316D+01
      2   0.578858D+00  0.139733D+01  0.307640D+00 -0.168834D+01 -0.288466D+01
      3  -0.262200D+01 -0.361800D+00 -0.878869D+00  0.146328D+02  0.149497D+01
               106           107           108           109           110 
      1  -0.466600D+00  0.168404D+01 -0.404918D+00  0.174763D+00 -0.301067D-02
      2  -0.802499D+00  0.572364D+00 -0.287744D+00  0.591341D+00 -0.660549D+00
      3  -0.260688D+00  0.140163D+01 -0.229852D+00 -0.623861D+01  0.550629D+01
               111           112           113           114           115 
      1   0.129849D+01 -0.279219D+00  0.627836D+00 -0.429685D+01 -0.622014D+00
      2   0.150188D+00 -0.869720D+00  0.961582D+00 -0.166608D+00 -0.967164D+00
      3   0.534814D+00  0.804984D+01 -0.117445D+02 -0.111691D+01  0.106569D+01
               116           117           118           119           120 
      1   0.201635D+01 -0.287120D+00 -0.695134D+00 -0.138352D+01  0.758845D+00
      2   0.290119D+00 -0.213508D+00 -0.120385D+01 -0.106172D-01  0.314731D+01
      3  -0.185543D+01  0.259172D+00 -0.775756D+00 -0.331262D+01  0.110006D+01
               121           122           123           124           125 
      1  -0.122258D+01 -0.548732D+00 -0.835709D+00  0.893140D+00  0.259311D+01
      2   0.292416D+00 -0.216958D+00 -0.900824D+00  0.158938D+01 -0.519569D+00
      3  -0.230802D+01 -0.828301D+00  0.203431D+01  0.181838D+01  0.228569D+01
               126           127           128           129           130 
      1  -0.352435D+01  0.256747D+01 -0.170620D-01  0.282846D+01 -0.213446D+01
      2  -0.140307D+02  0.747865D+01 -0.192613D+01  0.556250D+01 -0.244669D+01
      3  -0.263007D+00  0.191845D+02 -0.115113D+02 -0.148825D+01 -0.189420D+01
               131           132           133           134           135 
      1   0.847800D+01 -0.247195D+00  0.262991D+00  0.431350D+01 -0.972072D+01
      2   0.658620D+01  0.610169D+00 -0.339903D+00  0.266245D+01 -0.152185D+02
      3  -0.163386D+02 -0.747162D+01 -0.107737D+01 -0.720950D+01 -0.420575D+01
               136           137           138           139           140 
      1   0.228472D+01  0.503605D+00 -0.247454D+01  0.661023D+00  0.740747D+00
      2  -0.456676D+01 -0.174608D+01  0.573818D+01 -0.166097D+01 -0.183741D+01
      3   0.467466D+01 -0.397525D+01 -0.956212D+00  0.507145D+00 -0.215328D+01
               141           142           143           144           145 
      1  -0.148803D+01 -0.253503D+01  0.156926D+00  0.117657D+01 -0.112798D+01
      2   0.187712D+01  0.379061D+01  0.175849D+01 -0.260211D+01  0.176481D+01
      3   0.132802D+01 -0.216263D+01  0.308719D+01  0.805958D+00 -0.149765D+00
               146           147           148           149           150 
      1   0.183432D+00 -0.139551D+01  0.323186D+00 -0.132844D+01 -0.260252D+00
      2  -0.230900D+00  0.307190D+01 -0.664582D+00  0.111602D+01 -0.688368D+00
      3  -0.205349D+00  0.138387D+01  0.170312D+01  0.231728D+01 -0.168297D+01
               151           152           153           154           155 
      1  -0.340528D+01  0.260778D+01 -0.827600D+01  0.193598D+01  0.215290D+00
      2   0.281187D+01  0.144803D+01  0.155640D+02  0.409530D+00 -0.160722D+00
      3   0.355424D+01 -0.523962D+01  0.191721D+01  0.377577D+01  0.288864D+00
               156           157           158           159           160 
      1  -0.685793D+00  0.122870D+01  0.350600D+01 -0.646590D+01 -0.303587D+01
      2   0.110296D+01  0.162671D+00 -0.178570D+01  0.197740D+01 -0.650414D+00
      3  -0.217318D+01  0.169424D+01 -0.657875D+00  0.709601D+00 -0.619098D+01
               161           162           163           164           165 
      1  -0.809173D+01  0.134387D+02 -0.110639D+01  0.566917D+00  0.496539D+00
      2   0.357271D+01 -0.467548D+01  0.279082D+00 -0.374600D+00  0.695710D+00
      3  -0.323761D+00 -0.889145D+00 -0.962857D+00 -0.300435D+00  0.174233D+01
               166           167           168           169           170 
      1  -0.142361D+01 -0.718068D+01 -0.733009D+01 -0.149183D+01 -0.728782D+01
      2  -0.438499D+00  0.212816D+01  0.160580D+01 -0.698615D+00  0.228310D+01
      3   0.464798D+01 -0.465038D+01 -0.221313D+01  0.431677D+01 -0.380619D+01
               171           172           173           174           175 
      1  -0.627795D+01  0.875673D+00 -0.568690D+00 -0.177882D+01 -0.145584D+00
      2   0.134360D+01  0.221699D+01  0.452950D+00 -0.222416D+01  0.120452D+00
      3  -0.206069D+01 -0.205332D+00  0.145331D+01 -0.155804D+01  0.122843D+01
               176           177           178           179           180 
      1   0.105138D+01 -0.110864D+01  0.391576D+00  0.135151D+01  0.129943D+02
      2   0.138044D+01 -0.432925D+00 -0.233248D+01 -0.298411D+01  0.186470D+02
      3   0.148579D+01 -0.142836D+01 -0.172741D+01 -0.361437D+01  0.343002D+01
               181           182           183           184           185 
      1  -0.209176D+00  0.196864D+00  0.208188D+01  0.282252D+00 -0.631984D+00
      2  -0.387293D+01 -0.135661D-01  0.604056D+01  0.234456D+00 -0.100419D+01
      3  -0.169056D+02 -0.474006D+01  0.931593D+00 -0.165686D+01 -0.359673D+00
               186           187           188           189           190 
      1  -0.428870D+00  0.140913D+01  0.360372D+00  0.179215D+00 -0.100117D+01
      2   0.534516D+00  0.197499D+01 -0.333088D+00  0.756706D-01 -0.124461D+01
      3   0.111298D+01  0.142731D+01  0.188913D+01 -0.102648D+01  0.386904D+01
               191           192           193           194           195 
      1  -0.449220D+00 -0.170789D+01 -0.432736D+00 -0.513733D+01 -0.574352D+01
      2   0.565047D-01 -0.573393D+00 -0.368786D+00 -0.319609D+01 -0.312535D+01
      3   0.443066D+01  0.154281D+01  0.542751D+01  0.220731D+02  0.492629D+01
               196           197           198 
      1  -0.391940D+00 -0.206191D+01 -0.182852D+01
      2  -0.137339D+01 -0.266520D+01 -0.119912D+01
      3   0.225805D+01  0.653517D+01  0.408680D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.481011D+00 -0.219877D+02 -0.135060D+01  0.272616D+02  0.675090D+01
      2  -0.400383D+01  0.168969D+02 -0.451704D-01 -0.264386D+02 -0.116777D+02
      3   0.352282D+01  0.509078D+01  0.139577D+01 -0.823016D+00  0.492683D+01
      4  -0.205038D+02  0.697300D+01  0.500981D+01  0.721058D+01 -0.137818D+02
      5   0.170084D+01  0.560632D+01  0.633849D+01 -0.134666D+01 -0.288972D+01
      6   0.486609D+01  0.246112D+01  0.618824D+01 -0.331960D+01  0.463679D+00
                 6             7             8             9            10 
      1  -0.190286D+00  0.660264D+01  0.607884D+01  0.262981D+01 -0.791639D+01
      2   0.117649D+01 -0.477884D+01 -0.507272D+01 -0.806539D+01  0.491943D+01
      3  -0.986200D+00 -0.182380D+01 -0.100612D+01  0.543558D+01  0.299696D+01
      4  -0.376915D+01  0.475204D+01 -0.280267D+01  0.169408D+02  0.426294D+01
      5   0.103201D+02  0.227862D+02  0.189285D+02  0.158381D+01  0.885926D+01
      6   0.416314D+01  0.112113D+02  0.146709D+02 -0.232183D+01 -0.376931D+00
                11            12            13            14            15 
      1   0.166362D+01  0.588756D+01 -0.129014D+02 -0.250460D+02 -0.233387D+01
      2  -0.377794D-01 -0.360953D+01  0.108649D+02  0.240511D+02  0.298058D+01
      3  -0.162584D+01 -0.227803D+01  0.203653D+01  0.994928D+00 -0.646717D+00
      4   0.221928D+02 -0.297405D+00 -0.266345D+02  0.850595D+01  0.367748D+01
      5  -0.847638D+00  0.133593D+02 -0.462525D+01  0.297611D+01 -0.210655D+01
      6  -0.121153D+01 -0.109956D+01  0.339456D+01 -0.775901D+00 -0.327711D+01
                16            17            18            19            20 
      1   0.102764D+02 -0.380006D+01  0.157155D+02  0.141726D+02  0.220203D+02
      2  -0.383564D+01  0.270676D+01 -0.208102D+02 -0.138425D+02 -0.163539D+02
      3  -0.644077D+01  0.109331D+01  0.509467D+01 -0.330131D+00 -0.566647D+01
      4  -0.602417D+01 -0.875981D+00 -0.188089D+01  0.116820D+02 -0.122252D+02
      5   0.365343D+02 -0.384481D+01 -0.541934D+01  0.116878D+01 -0.462105D+01
      6  -0.295748D+00  0.350333D+01 -0.121730D+01 -0.285943D+01  0.490571D+01
                21            22            23            24            25 
      1  -0.488711D+00 -0.211570D+02  0.132964D+02  0.180056D+01  0.974212D-01
      2   0.377535D+00  0.190364D+02 -0.204119D+02 -0.371037D+01  0.244704D+01
      3   0.111177D+00  0.212062D+01  0.711551D+01  0.190982D+01 -0.254446D+01
      4  -0.423827D+01  0.913227D+01  0.275224D+01  0.163619D+01 -0.470562D+01
      5  -0.895649D+00 -0.143175D+00  0.211022D+01 -0.894865D+01  0.115144D+02
      6  -0.813726D+00  0.113901D+01 -0.467611D+01  0.462939D+01 -0.827732D+01
                26            27            28            29            30 
      1  -0.252711D+01 -0.383349D+01 -0.104635D+02 -0.270430D+02 -0.782005D+00
      2  -0.254071D+01 -0.433297D+01  0.912757D+01  0.214566D+02 -0.137365D+01
      3   0.506782D+01  0.816646D+01  0.133591D+01  0.558637D+01  0.215566D+01
      4   0.650910D+01 -0.171582D+02 -0.989607D+01 -0.750749D+01 -0.752846D-01
      5  -0.166508D+02 -0.229856D+01 -0.940983D+00  0.291501D+00 -0.628298D+00
      6   0.142961D+02  0.214648D+01  0.257109D-01 -0.293798D+01  0.159945D+01
                31            32            33            34            35 
      1  -0.111456D+02 -0.851584D+01 -0.934591D-01  0.127222D+01  0.108314D+01
      2   0.368505D+00  0.763983D+01  0.411092D+00 -0.271426D+01 -0.109485D+01
      3   0.107771D+02  0.876006D+00 -0.317633D+00  0.144205D+01  0.117086D-01
      4   0.756365D+01 -0.887828D+01 -0.186876D+01 -0.531874D+00  0.166033D+01
      5  -0.216587D+01 -0.184855D+01 -0.793908D+00  0.128168D+01 -0.235242D+01
      6  -0.705821D+01 -0.174969D+01  0.276248D+01  0.309352D+01  0.950932D+01
                36            37            38            39            40 
      1  -0.124982D+02 -0.239130D+02  0.475063D+01 -0.343262D+00 -0.304018D+01
      2   0.163037D+01  0.846217D+01 -0.129244D+01 -0.834573D-02  0.582486D+01
      3   0.108679D+02  0.154508D+02 -0.345818D+01  0.351608D+00 -0.278468D+01
      4  -0.897272D+00 -0.669163D+01  0.681170D+01  0.955462D+00 -0.122443D+02
      5   0.185802D+01 -0.647002D+01 -0.487686D-01  0.847279D+00  0.168642D+00
      6  -0.896086D+00  0.777996D+00 -0.172147D+01 -0.154225D+01  0.536495D+01
                41            42            43            44            45 
      1  -0.395335D+01  0.447399D+00  0.378639D+01 -0.205207D+01 -0.890275D+01
      2   0.109936D+02  0.113678D+01 -0.522663D+00  0.258833D+01 -0.395330D+01
      3  -0.704021D+01 -0.158418D+01 -0.326372D+01 -0.536261D+00  0.128561D+02
      4   0.693009D+01  0.336059D+01 -0.157019D+01  0.355727D+01 -0.189982D+01
      5   0.235899D+01  0.111130D+00  0.301298D+01  0.767367D+00  0.330288D+00
      6   0.995581D+00 -0.560833D+00 -0.155954D+01  0.307608D+01  0.950304D-01
                46            47            48            49            50 
      1   0.727998D+01  0.963208D+01 -0.121348D+01  0.424421D+01  0.756609D+01
      2  -0.556481D+01 -0.106860D+02  0.109751D+01  0.461457D+01 -0.140092D+02
      3  -0.171517D+01  0.105396D+01  0.115969D+00 -0.885878D+01  0.644309D+01
      4   0.124200D+02 -0.197298D+02 -0.201893D+01  0.159690D+02  0.120379D+02
      5   0.354380D+00 -0.213407D+01 -0.346754D+01  0.133314D+01  0.483817D+00
      6  -0.390855D+01  0.257897D+01 -0.438097D+01  0.906738D-01 -0.464856D+01
                51            52            53            54            55 
      1   0.204530D+01 -0.162473D+01  0.589496D+00 -0.169591D+02  0.162040D+02
      2  -0.335013D+01  0.271822D+01 -0.424071D+01  0.592730D+01 -0.478744D+01
      3   0.130483D+01 -0.109349D+01  0.365121D+01  0.110318D+02 -0.114166D+02
      4   0.780874D-02  0.201823D+01  0.451632D+01  0.659718D+01  0.984460D+01
      5   0.202224D+01  0.103892D+01  0.683792D+01  0.475970D+01  0.437060D+01
      6   0.618858D+01 -0.296907D+01  0.193538D+02  0.475593D+01 -0.427373D+00
                56            57            58            59            60 
      1   0.822237D+00 -0.112705D+01  0.473810D+01 -0.744145D+01  0.122663D+01
      2   0.180145D+01 -0.336392D+01 -0.446525D+00  0.397304D+00  0.936454D+00
      3  -0.262369D+01  0.449097D+01 -0.429158D+01  0.704415D+01 -0.216308D+01
      4  -0.102984D+02  0.290655D+00 -0.203439D+02 -0.678827D+01 -0.751009D+01
      5   0.114406D+01 -0.798844D+01  0.182977D+01 -0.738682D+01  0.311294D+01
      6  -0.334987D+01  0.270176D+01 -0.542396D+01  0.277292D+01 -0.199433D+01
                61            62            63            64            65 
      1  -0.964097D+01  0.196486D+01  0.399526D+01 -0.153024D+02 -0.172553D+02
      2  -0.104253D+02  0.300379D+01  0.111527D+02  0.176416D+01  0.943222D+01
      3   0.200663D+02 -0.496866D+01 -0.151480D+02  0.135382D+02  0.782309D+01
      4   0.619556D+00 -0.118006D+02  0.487274D+01 -0.210579D+02 -0.676626D+01
      5  -0.157060D+02  0.295977D+01  0.328497D+02  0.140298D+02  0.502713D+01
      6   0.567022D+01 -0.445855D+00 -0.763316D+01  0.608772D+01  0.295302D+01
                66            67            68            69            70 
      1   0.882926D+01 -0.197191D+02  0.114342D+01  0.147949D+01  0.142114D+02
      2  -0.147008D+01  0.110916D+02  0.176027D+01  0.903574D+00  0.224298D-01
      3  -0.735918D+01  0.862748D+01 -0.290369D+01 -0.238306D+01 -0.142338D+02
      4   0.618399D+01 -0.281040D+01  0.129965D+02  0.689546D+01  0.126878D+02
      5  -0.777429D+01  0.587980D+01  0.580293D+01  0.805548D+00 -0.131955D+02
      6  -0.340181D+01  0.424114D+01  0.559615D+01  0.186819D+01 -0.615027D+01
                71            72            73            74            75 
      1   0.663974D+01 -0.813705D+01 -0.578804D+01  0.107244D+02 -0.396775D+01
      2  -0.170691D+01  0.150373D+02  0.911029D+01 -0.620947D+01  0.416467D+01
      3  -0.493282D+01 -0.690025D+01 -0.332224D+01 -0.451489D+01 -0.196913D+00
      4   0.905620D+01 -0.621039D+01  0.449714D+01  0.581284D+01 -0.171834D+00
      5  -0.209669D+01 -0.255976D+02 -0.161108D+01  0.735554D+00 -0.737861D+00
      6   0.284101D+01 -0.933761D+01  0.768704D+00  0.555762D+01 -0.133832D-02
                76            77            78            79            80 
      1   0.224228D+02  0.275522D+02  0.674776D+00 -0.893019D+01 -0.180338D+01
      2  -0.176606D+02 -0.291950D+02 -0.757753D+01  0.614330D+01 -0.802283D+01
      3  -0.476226D+01  0.164278D+01  0.690276D+01  0.278690D+01  0.982621D+01
      4   0.160891D+01 -0.572015D+01  0.765245D-01  0.365851D+00  0.227910D+01
      5   0.199748D+01  0.766695D+00 -0.586339D+01 -0.175499D+01 -0.900876D+01
      6   0.468827D+01 -0.573580D+01 -0.198361D+02 -0.101838D+02 -0.366504D+02
                81            82            83            84            85 
      1   0.257570D+02  0.246632D+02  0.150414D+02 -0.228645D+00  0.102310D+02
      2  -0.244856D+02 -0.459938D+01  0.108937D+01  0.507545D-01  0.718171D+01
      3  -0.127143D+01 -0.200638D+02 -0.161307D+02  0.177890D+00 -0.174128D+02
      4  -0.691418D+01  0.367959D+02  0.326275D+02 -0.109255D+01  0.366873D+02
      5   0.697633D+01 -0.367470D+00 -0.660331D+00  0.588297D+01  0.825909D+00
      6   0.152475D+02 -0.113783D+01 -0.117378D+01  0.341626D+01 -0.208751D+00
                86            87            88            89            90 
      1   0.439187D+01  0.260168D+00 -0.174791D+01 -0.124711D+01 -0.188601D+00
      2   0.171908D+02 -0.410498D+00  0.976059D+00  0.925469D+00  0.102604D+01
      3  -0.215827D+02  0.150330D+00  0.771846D+00  0.321639D+00 -0.837442D+00
      4   0.456008D+02 -0.349544D-02 -0.138749D+01 -0.415460D+00  0.204953D+01
      5   0.837090D+00  0.501061D+01  0.131449D+01  0.747320D+00 -0.327568D+00
      6  -0.611027D+00  0.545879D+01  0.100988D+01  0.183980D+01 -0.782171D-01
                91            92            93            94            95 
      1   0.972020D+02 -0.952005D+01 -0.847991D+01 -0.969646D+01  0.100405D+02
      2  -0.567855D+02  0.513963D+01  0.602906D+01  0.479497D+01 -0.498004D+01
      3  -0.404165D+02  0.438042D+01  0.245085D+01  0.490149D+01 -0.506045D+01
      4  -0.137328D+02  0.971309D+01  0.120006D+01  0.162576D+02 -0.479069D+01
      5  -0.124469D+02  0.121393D+01  0.114243D+02  0.226991D+01 -0.162450D+01
      6   0.145207D+00 -0.653508D+00 -0.699582D+00 -0.117662D+01  0.247469D+00
                96            97            98            99           100 
      1   0.133384D+01 -0.118369D+02  0.153718D+01  0.320470D+01  0.562961D+01
      2  -0.974072D+00  0.726177D+01 -0.848205D+00 -0.214330D+01  0.211614D+01
      3  -0.359766D+00  0.457512D+01 -0.688974D+00 -0.106140D+01 -0.774574D+01
      4  -0.168880D+01  0.266991D+01 -0.130805D+01 -0.106011D+01 -0.174841D+02
      5  -0.147350D+01  0.374271D+01 -0.350667D+00 -0.233595D+01 -0.197506D+01
      6   0.173883D+01 -0.432999D+00  0.947201D+00  0.397348D+00  0.176645D+01
               101           102           103           104           105 
      1  -0.438985D+01 -0.501112D+00 -0.196595D+00 -0.140849D+02 -0.160182D+01
      2  -0.402249D+01 -0.130244D-02 -0.961826D+01  0.339328D+02  0.231392D+01
      3   0.841234D+01  0.502415D+00  0.981486D+01 -0.198479D+02 -0.712099D+00
      4   0.209108D+02  0.265673D+01  0.243045D+02 -0.456897D+02 -0.450159D+01
      5   0.229419D+01  0.355946D+01  0.214729D+01 -0.344745D+01 -0.489410D+01
      6  -0.213845D+01 -0.243267D+01 -0.244214D+01  0.613998D+01  0.737985D+01
               106           107           108           109           110 
      1  -0.747218D+00 -0.904456D+00 -0.178015D+01 -0.478577D+01  0.774377D+01
      2  -0.758120D+00  0.299086D+01  0.237821D+01  0.676625D+01 -0.968136D+01
      3   0.150534D+01 -0.208640D+01 -0.598060D+00 -0.198048D+01  0.193758D+01
      4   0.411969D+01 -0.593650D+01 -0.167919D+01 -0.322141D+01  0.755939D+01
      5   0.123288D+01 -0.102845D+01 -0.896670D+00  0.287156D+00 -0.101377D-02
      6  -0.128742D+01  0.324183D+01  0.139020D+01  0.122501D+01 -0.225819D+01
               111           112           113           114           115 
      1   0.149914D+01  0.614815D+01 -0.358773D+02 -0.399239D+01  0.116373D+01
      2  -0.104791D+01 -0.809059D+01  0.502556D+02  0.394802D+01 -0.151532D+01
      3  -0.451223D+00  0.194244D+01 -0.143783D+02  0.443670D-01  0.351585D+00
      4   0.337045D+00  0.609861D+01  0.291624D+01  0.550437D+00  0.330081D+00
      5   0.888656D+00  0.404952D-01  0.176290D+01  0.631482D+00  0.647778D+00
      6  -0.172835D+01 -0.116710D+01  0.747974D+01  0.762496D+01 -0.282580D+00
               116           117           118           119           120 
      1  -0.368757D+01 -0.146682D+01  0.447183D+01 -0.707385D+00 -0.378544D+01
      2   0.462966D+01  0.163033D+01 -0.755161D+01  0.190716D+00  0.570811D+01
      3  -0.942087D+00 -0.163509D+00  0.307977D+01  0.516669D+00 -0.192267D+01
      4  -0.497704D+00 -0.144097D+01 -0.379262D+01  0.659992D+01  0.165204D+01
      5  -0.612382D+00 -0.530621D+00 -0.105071D+02  0.107566D+01  0.136099D+02
      6   0.262039D+01  0.141319D+01  0.194605D+01 -0.605183D-01 -0.150145D+01
               121           122           123           124           125 
      1  -0.426645D+00 -0.144980D+01 -0.408384D+00 -0.191838D+01 -0.894629D+00
      2  -0.479389D+00 -0.698248D+00  0.237464D+00  0.126072D+02 -0.108092D+01
      3   0.906034D+00  0.214804D+01  0.170920D+00 -0.106888D+02  0.197555D+01
      4   0.934049D+01 -0.271057D+01 -0.399411D+01  0.442485D+01 -0.573470D+01
      5   0.441168D+00 -0.395844D+01 -0.139461D+01  0.219520D+02 -0.351134D+01
      6  -0.154131D+01  0.113851D+01  0.701917D+01 -0.382779D+01  0.511842D+01
               126           127           128           129           130 
      1  -0.122068D+02 -0.556754D+02  0.832899D+01  0.425931D+01 -0.289473D+01
      2  -0.214832D+02  0.317390D+02 -0.121205D+02 -0.444920D+01 -0.414587D+01
      3   0.336901D+02  0.239364D+02  0.379149D+01  0.189891D+00  0.704059D+01
      4  -0.347781D+01  0.124989D+02  0.136268D+02 -0.326519D+01  0.205304D+02
      5  -0.368880D+02  0.479679D+01 -0.135525D+01  0.788024D+01 -0.353249D+01
      6   0.864666D+01 -0.638376D+01  0.233531D+01 -0.533985D+01  0.404137D+01
               131           132           133           134           135 
      1   0.227597D+02  0.529911D+01  0.926866D+01  0.312976D+01  0.153758D+02
      2  -0.255388D+02 -0.110093D+02 -0.170403D+01 -0.123044D+02  0.166010D+00
      3   0.277914D+01  0.571020D+01 -0.756462D+01  0.917462D+01 -0.155418D+02
      4   0.344468D+01  0.120833D+02 -0.894723D+01  0.139909D+02 -0.273687D+01
      5   0.143482D+02  0.889587D+00  0.720426D+01  0.173917D+01 -0.249364D+02
      6  -0.127241D+02 -0.444285D-01 -0.413387D+01 -0.121064D+01  0.167772D+02
               136           137           138           139           140 
      1   0.481626D+02  0.134851D+02 -0.900145D+01  0.110906D+02  0.552120D+01
      2  -0.216647D+02 -0.295475D+01  0.413231D+01 -0.152673D+01  0.266257D+01
      3  -0.264979D+02 -0.105303D+02  0.486915D+01 -0.956383D+01 -0.818377D+01
      4   0.338807D+02  0.198460D+02 -0.655066D+01  0.192325D+02  0.135044D+02
      5  -0.135700D+02 -0.434156D+01  0.107010D+02 -0.410635D+01 -0.495023D+01
      6  -0.567106D+01 -0.294319D+01  0.445431D+01 -0.293425D+01 -0.307407D+01
               141           142           143           144           145 
      1  -0.142318D+01 -0.153839D+02 -0.308680D+01  0.675959D+01  0.684296D+01
      2  -0.646569D+00  0.788430D+01 -0.128647D+00 -0.578174D+01 -0.606719D+01
      3   0.206975D+01  0.749958D+01  0.321545D+01 -0.977848D+00 -0.775770D+00
      4  -0.537930D+01 -0.121509D+02 -0.948755D+01  0.752383D+01  0.521757D+01
      5   0.342701D+01  0.143906D+02  0.538168D+01 -0.676972D+01  0.764973D+01
      6   0.312885D+01  0.655230D+01  0.373794D+01 -0.337271D+01  0.227557D+01
               146           147           148           149           150 
      1   0.324450D+01  0.447613D+01  0.414838D+00 -0.109286D+01 -0.159281D+01
      2  -0.187175D+01 -0.472573D+01  0.118662D+01 -0.108301D+01  0.238946D+01
      3  -0.137274D+01  0.249605D+00 -0.160146D+01  0.217586D+01 -0.796651D+00
      4   0.269348D+01  0.209917D+01  0.359984D+01 -0.115706D+01  0.343380D+01
      5   0.545760D+00  0.929331D+01 -0.143646D+01  0.334539D+01 -0.204288D+01
      6   0.922289D+00  0.193794D+01  0.106913D+01  0.997693D+00  0.445613D+01
               151           152           153           154           155 
      1   0.823297D+01 -0.215207D+01 -0.157514D+01  0.584427D+00  0.436923D+00
      2  -0.111984D+02  0.184364D+01 -0.181415D+02 -0.120232D+01 -0.186722D+00
      3   0.296548D+01  0.308439D+00  0.197166D+02  0.617888D+00 -0.250200D+00
      4   0.474891D+01  0.759777D+01  0.661527D+01  0.302990D+01  0.625427D+01
      5   0.181496D+02  0.343901D+01  0.336619D+02 -0.211461D+01 -0.333027D+01
      6   0.619373D+01  0.487775D+01  0.147246D+02 -0.575470D+01 -0.173536D+01
               156           157           158           159           160 
      1  -0.508126D+00 -0.486138D+01 -0.226145D+02  0.110234D+02  0.404300D+01
      2   0.316088D-03  0.600330D+01  0.258720D+02 -0.100020D+02 -0.307005D+01
      3   0.507810D+00 -0.114192D+01 -0.325748D+01 -0.102146D+01 -0.972955D+00
      4  -0.494051D+01  0.518409D+01  0.816396D+01 -0.402047D+01 -0.920045D+01
      5   0.548670D+01 -0.214387D+01 -0.461617D+01  0.420727D+01  0.673336D+01
      6   0.154195D+01 -0.407039D+01 -0.173198D+02  0.172332D+02  0.886130D+01
               161           162           163           164           165 
      1   0.221170D+02 -0.243897D+02 -0.159004D+00  0.384980D+01  0.222645D+01
      2  -0.181709D+02  0.117874D+02  0.212566D+01 -0.437935D+01 -0.174277D+01
      3  -0.394604D+01  0.126023D+02 -0.196665D+01  0.529550D+00 -0.483675D+00
      4  -0.897070D+01  0.682192D+01  0.101597D+01  0.710490D+01  0.343181D+01
      5   0.909028D+01 -0.106164D+02  0.994997D+00  0.162355D+01  0.236235D+01
      6   0.311027D+02 -0.330992D+02  0.443216D+01 -0.129086D+01 -0.870990D+00
               166           167           168           169           170 
      1  -0.292521D+01 -0.345221D+02 -0.106714D+02  0.441734D+00 -0.188714D+02
      2   0.464462D+01  0.498903D+02  0.150294D+02  0.122050D+01  0.249503D+02
      3  -0.171941D+01 -0.153681D+02 -0.435805D+01 -0.166223D+01 -0.607885D+01
      4   0.695155D+01  0.100939D+02  0.291942D+01  0.544828D+01  0.533955D+01
      5   0.165813D+01  0.346838D+01  0.313753D+01  0.336778D+01  0.496245D+01
      6   0.178414D+01  0.206776D+02  0.155397D+02  0.382137D+01  0.238404D+02
               171           172           173           174           175 
      1  -0.151587D+02  0.321482D+01 -0.240188D+01  0.549361D+01  0.102826D+01
      2   0.138464D+02 -0.364311D+01  0.286405D+01 -0.885314D+00 -0.745153D+00
      3   0.131239D+01  0.428283D+00 -0.462177D+00 -0.460830D+01 -0.283103D+00
      4   0.394534D+01 -0.172315D+00 -0.205443D+01 -0.163132D+01 -0.749832D+00
      5   0.222698D+01  0.177977D+01  0.207603D+00 -0.519229D+00  0.676041D+00
      6   0.145005D+02 -0.155136D+01 -0.162740D+01  0.339940D+01 -0.543865D-01
               176           177           178           179           180 
      1  -0.566171D+01  0.205465D+01  0.662340D+01  0.373055D+01 -0.172896D+02
      2   0.397738D+01 -0.227764D+01 -0.381368D+01 -0.290727D+01 -0.905540D+01
      3   0.168434D+01  0.222994D+00 -0.280972D+01 -0.823270D+00  0.263450D+02
      4  -0.104095D+01  0.219182D+01 -0.675374D+01  0.759631D+01 -0.315564D+01
      5   0.180666D+01 -0.468462D+00  0.782666D+01 -0.619936D+01  0.318894D+02
      6  -0.192691D+01  0.575095D+01 -0.215506D+01  0.913165D+01 -0.248159D+02
               181           182           183           184           185 
      1   0.840257D+02 -0.799685D+01 -0.330793D+01  0.570634D+01  0.396902D+01
      2  -0.431595D+02  0.570546D+00  0.133290D+01 -0.566788D+01  0.435353D+00
      3  -0.408661D+02  0.742630D+01  0.197503D+01 -0.384525D-01 -0.440437D+01
      4  -0.354252D+02  0.160730D+02  0.694123D+00  0.751729D+01 -0.295234D+01
      5   0.194493D+01 -0.556695D+00  0.104624D+02  0.617782D+00 -0.159631D+01
      6   0.172278D+01  0.791323D+00 -0.403588D+01  0.243757D+00  0.115916D+01
               186           187           188           189           190 
      1  -0.718767D+00 -0.756140D+01 -0.281313D+00  0.563308D+01  0.227516D+01
      2   0.124617D+01  0.395446D+01  0.199458D+01 -0.476257D+01  0.113800D+01
      3  -0.527406D+00  0.360694D+01 -0.171327D+01 -0.870516D+00 -0.341316D+01
      4  -0.174044D+01  0.395586D+01 -0.372038D+01 -0.271262D+01 -0.128334D+01
      5   0.967953D+00  0.106000D+02 -0.155459D+01 -0.675888D+00 -0.144365D+01
      6   0.636195D+00 -0.323681D+01  0.171889D+01 -0.511152D+00  0.203156D+01
               191           192           193           194           195 
      1  -0.792902D+01 -0.226582D+01 -0.557797D+01 -0.266401D+02 -0.565109D+01
      2   0.909866D+01  0.216970D+01  0.172020D+01  0.463527D+02  0.931282D+01
      3  -0.116963D+01  0.961199D-01  0.385777D+01 -0.197126D+02 -0.366173D+01
      4  -0.354550D+00  0.131916D+01  0.899924D+01 -0.315522D+02 -0.586649D+01
      5  -0.320509D+00 -0.130204D+01 -0.385438D+00 -0.774919D+01 -0.665740D+01
      6   0.596749D+00  0.260912D+01 -0.170145D+00  0.712149D+01  0.891746D+01
               196           197           198 
      1  -0.428851D+01 -0.659457D+01 -0.720652D+01
      2   0.144107D+01  0.114536D+02  0.591108D+01
      3   0.284744D+01 -0.485907D+01  0.129544D+01
      4   0.513063D+01 -0.105525D+02 -0.414263D+01
      5   0.730591D+00 -0.575877D+01 -0.235331D+01
      6   0.263172D+00  0.874276D+01  0.473664D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.248154D+00      0.630743D+00      0.210393D+01
   x          0.228478D+00      0.580733D+00      0.193712D+01
   y          0.849445D-01      0.215907D+00      0.720189D+00
   z         -0.465018D-01     -0.118196D+00     -0.394258D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111471D+03      0.165183D+02      0.183791D+02
   aniso      0.570471D+02      0.845351D+01      0.940580D+01
   xx         0.137958D+03      0.204432D+02      0.227462D+02
   yx         0.163919D+01      0.242903D+00      0.270266D+00
   yy         0.121490D+03      0.180029D+02      0.200309D+02
   zx        -0.354524D+01     -0.525350D+00     -0.584531D+00
   zy         0.151232D+01      0.224103D+00      0.249348D+00
   zz         0.749665D+02      0.111089D+02      0.123603D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.116017D+03      0.171920D+02      0.191286D+02
   aniso      0.583517D+02      0.864682D+01      0.962089D+01
   xx         0.143405D+03      0.212504D+02      0.236443D+02
   yx         0.188449D+01      0.279253D+00      0.310711D+00
   yy         0.125863D+03      0.186510D+02      0.207521D+02
   zx        -0.350988D+01     -0.520111D+00     -0.578701D+00
   zy         0.154811D+01      0.229406D+00      0.255248D+00
   zz         0.787830D+02      0.116744D+02      0.129896D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.56469655          1.00365449         -4.55743152
     6         -1.20986827         -1.54511696         -4.60129481
     6         -1.30345256         -2.93267351         -2.36616220
     6         -0.73934845         -1.74384953         -0.09972884
     6         -0.09110474          0.81339270         -0.05371423
     6         -0.00390573          2.19672292         -2.27856556
     6          0.40639081          1.68329970          2.62667135
     6          0.80348043         -0.84403721          4.03702730
     6         -0.73210609         -2.81674549          2.54175414
     1         -0.48852925          2.06263104         -6.30614058
     1         -1.63120726         -2.45621651         -6.38386003
     1         -1.79798374         -4.91928057         -2.40719885
     1          0.50546046          4.17909947         -2.25955092
     1         -1.32533153          2.57546650          3.34296304
     6          2.57573924          3.55181208          2.93253577
     1          0.27173336         -0.73516801          6.02457714
     1          2.80931069         -1.33543593          3.95290119
     1         -2.66869843         -2.94366091          3.26328352
     1          0.07298243         -4.71211499          2.64459003
     1          4.32875066          2.75645476          2.18752716
     1          2.87317206          4.01252755          4.92196496
     1          2.20357921          5.31694588          1.93240411

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.248154D+00      0.630743D+00      0.210393D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.248154D+00      0.630743D+00      0.210393D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111471D+03      0.165183D+02      0.183791D+02
   aniso      0.570471D+02      0.845351D+01      0.940580D+01
   xx         0.805435D+02      0.119353D+02      0.132798D+02
   yx         0.137380D+02      0.203576D+01      0.226508D+01
   yy         0.117992D+03      0.174846D+02      0.194542D+02
   zx         0.986082D+01      0.146122D+01      0.162583D+01
   zy         0.120081D+01      0.177942D+00      0.197987D+00
   zz         0.135879D+03      0.201351D+02      0.224034D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.116017D+03      0.171920D+02      0.191286D+02
   aniso      0.583517D+02      0.864682D+01      0.962089D+01
   xx         0.844966D+02      0.125211D+02      0.139316D+02
   yx         0.138933D+02      0.205877D+01      0.229069D+01
   yy         0.122274D+03      0.181191D+02      0.201603D+02
   zx         0.102449D+02      0.151814D+01      0.168915D+01
   zy         0.123507D+01      0.183019D+00      0.203636D+00
   zz         0.141281D+03      0.209356D+02      0.232940D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-V11-15-01\Freq\RwB97XD\Gen\C10H12\PIERPA\24-Jul-2021\0\\#
 P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA 
 Guess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-2.164986,
 -1.22492,-0.005005\C,-2.64202,0.073409,0.14669\C,-1.762079,1.153232,0.
 130794\C,-0.405452,0.917524,-0.034454\C,0.074285,-0.384887,-0.1864\C,-
 0.802207,-1.459935,-0.173869\C,1.57772,-0.384146,-0.367381\C,1.970002,
 1.020984,0.144037\C,0.731931,1.906712,-0.098518\H,-2.85672,-2.057467,0
 .013689\H,-3.702276,0.24425,0.283207\H,-2.135971,2.162786,0.253773\H,-
 0.437393,-2.473544,-0.28667\H,1.78987,-0.436688,-1.443748\C,2.317593,-
 1.524644,0.320775\H,2.87317,1.403772,-0.331853\H,2.163642,0.958387,1.2
 18672\H,0.772481,2.369953,-1.090624\H,0.637692,2.716269,0.626868\H,2.1
 08272,-1.526468,1.392826\H,3.39662,-1.425796,0.184958\H,2.021897,-2.49
 5429,-0.08111\\Version=ES64L-G16RevA.03\State=1-A\HF=-388.4843583\RMSD
 =4.061e-09\RMSF=3.841e-06\ZeroPoint=0.1920584\Thermal=0.2003641\Dipole
 =0.228478,0.0849445,-0.0465018\DipoleDeriv=-0.0445121,0.0259601,-0.010
 7133,0.0950944,0.0385571,0.0000125,-0.0031683,0.0095673,-0.1496511,0.0
 317622,-0.005505,-0.0306018,-0.0777093,-0.0579125,0.02015,-0.0232514,0
 .0103602,-0.1459145,-0.0148712,-0.1006101,-0.0178892,-0.0724145,0.0820
 454,0.0262812,-0.0127363,0.0387885,-0.1167244,-0.0406253,0.1386755,-0.
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 HOW IS IT THAT THE SKY FEEDS THE STARS?

                           -- LUCRETIUS
 Job cpu time:       0 days  2 hours 42 minutes 53.8 seconds.
 Elapsed time:       0 days  0 hours 10 minutes 13.7 seconds.
 File lengths (MBytes):  RWF=    256 Int=      0 D2E=      0 Chk=     12 Scr=      2
 Normal termination of Gaussian 16 at Sat Jul 24 18:02:39 2021.
